3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide

C108H118Cl4N14O20S4 — CID 157418295

IUPAC3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
SMILESCC(=O)N1CCN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC1.CC1CN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC(C)O1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C28H31ClN4O5S.C28H32ClN3O5S.C26H27ClN4O5S.C26H28ClN3O5S/c1-20(34)33-13-11-32(12-14-33)15-16-38-27-17-21(6-7-22(27)19-39(2,36)37)28(35)31-23-8-9-25(29)24(18-23)26-5-3-4-10-30-26;1-19-16-32(17-20(2)37-19)12-13-36-27-14-21(7-8-22(27)18-38(3,34)35)28(33)31-23-9-10-25(29)24(15-23)26-6-4-5-11-30-26;1-37(34,35)17-19-6-5-18(14-24(19)36-13-12-31-11-10-29-25(32)16-31)26(33)30-20-7-8-22(27)21(15-20)23-4-2-3-9-28-23;1-36(32,33)18-20-6-5-19(16-25(20)35-15-12-30-10-13-34-14-11-30)26(31)29-21-7-8-23(27)22(17-21)24-4-2-3-9-28-24/h3-10,17-18H,11-16,19H2,1-2H3,(H,31,35);4-11,14-15,19-20H,12-13,16-18H2,1-3H3,(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);2-9,16-17H,10-15,18H2,1H3,(H,29,31)
InChIKeyBPCKHDIUZHAQOV-UHFFFAOYSA-N
MW2202.29 g/mol
LogP15.35
Rot. Bonds36

About 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide

3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide (PubChem CID 157418295) has the molecular formula C108H118Cl4N14O20S4 and a molecular weight of 2202.29 g/mol. Its IUPAC name is 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound Name3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
PubChem CID157418295
Molecular FormulaC108H118Cl4N14O20S4
Molecular Weight2202.29 g/mol
Exact Mass2198.63
IUPAC Name3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
SMILESCC(=O)N1CCN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC1.CC1CN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC(C)O1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C28H31ClN4O5S.C28H32ClN3O5S.C26H27ClN4O5S.C26H28ClN3O5S/c1-20(34)33-13-11-32(12-14-33)15-16-38-27-17-21(6-7-22(27)19-39(2,36)37)28(35)31-23-8-9-25(29)24(18-23)26-5-3-4-10-30-26;1-19-16-32(17-20(2)37-19)12-13-36-27-14-21(7-8-22(27)18-38(3,34)35)28(33)31-23-9-10-25(29)24(15-23)26-6-4-5-11-30-26;1-37(34,35)17-19-6-5-18(14-24(19)36-13-12-31-11-10-29-25(32)16-31)26(33)30-20-7-8-22(27)21(15-20)23-4-2-3-9-28-23;1-36(32,33)18-20-6-5-19(16-25(20)35-15-12-30-10-13-34-14-11-30)26(31)29-21-7-8-23(27)22(17-21)24-4-2-3-9-28-24/h3-10,17-18H,11-16,19H2,1-2H3,(H,31,35);4-11,14-15,19-20H,12-13,16-18H2,1-3H3,(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);2-9,16-17H,10-15,18H2,1H3,(H,29,31)
InChIKeyBPCKHDIUZHAQOV-UHFFFAOYSA-N
XLogP15.35
TPSA422.27 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.29
LogP ≤ 515.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide with MolForge

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Related Compounds

3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 162198505
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)-3-(2-(3-oxopiperazin-1-yl)ethoxy)benzamide
CID 44252298
N-(4-chloro-3-(pyridin-2-yl)phenyl)-3-(2-(2,6-dimethylmorpholino)ethoxy)-4-(methylsulfonylmethyl)benzamide
CID 58614653
n-(4-Chloro-3-(pyridin-2-yl)phenyl)-3-(2-(4-(methylsulfonyl)piperazin-1-yl)ethoxy)-4-(methylsulfonylmethyl)benzamide
CID 58614688
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)-3-(2-morpholinoethoxy)benzamide
CID 58614704
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)-3-(2-(pyrrolidin-1-yl)ethoxy)benzamide
CID 58614756
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)-3-(2-(piperidin-1-yl)ethoxy)benzamide
CID 58614790
3-(2-(4-acetylpiperazin-1-yl)ethoxy)-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)benzamide
CID 58614845
n-(4-Chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)-3-(2-(piperazin-1-yl)ethoxy)benzamide
CID 66878122
3-(2-bromoethoxy)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 87195357
3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-piperidin-1-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 157522758
N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide
CID 157526175

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide (CID 157418295) is 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide.
What is the SMILES notation for 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The canonical SMILES for 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide is CC(=O)N1CCN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC1.CC1CN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC(C)O1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCOCC1.
What is the InChIKey of 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The InChIKey is BPCKHDIUZHAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O5S.C28H32ClN3O5S.C26H27ClN4O5S.C26H28ClN3O5S/c1-20(34)33-13-11-32(12-14-33)15-16-38-27-17-21(6-7-22(27)19-39(2,36)37)28(35)31-23-8-9-25(29)24(18-23)26-5-3-4-10-30-26;1-19-16-32(17-20(2)37-19)12-13-36-27-14-21(7-8-22(27)18-38(3,34)35)28(33)31-23-9-10-25(29)24(15-23)26-6-4-5-11-30-26;1-37(34,35)17-19-6-5-18(14-24(19)36-13-12-31-11-10-29-25(32)16-31)26(33)30-20-7-8-22(27)21(15-20)23-4-2-3-9-28-23;1-36(32,33)18-20-6-5-19(16-25(20)35-15-12-30-10-13-34-14-11-30)26(31)29-21-7-8-23(27)22(17-21)24-4-2-3-9-28-24/h3-10,17-18H,11-16,19H2,1-2H3,(H,31,35);4-11,14-15,19-20H,12-13,16-18H2,1-3H3,(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);2-9,16-17H,10-15,18H2,1H3,(H,29,31).
What are the key properties of 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide has a molecular weight of 2202.29 g/mol, XLogP of 15.35, 36 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetylpiperazin-1-yl)ethoxy]-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 157418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).