N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide

C96H98Cl4N12O19S5 — CID 158672682

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCN(S(C)(=O)=O)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1
InChIInChI=1S/C27H31ClN4O6S2.C26H27ClN4O5S.C22H21ClN2O4S.C21H19ClN2O4S/c1-39(34,35)19-21-7-6-20(17-26(21)38-16-15-31-11-13-32(14-12-31)40(2,36)37)27(33)30-22-8-9-24(28)23(18-22)25-5-3-4-10-29-25;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;1-3-29-21-12-15(7-8-16(21)14-30(2,27)28)22(26)25-17-9-10-19(23)18(13-17)20-6-4-5-11-24-20;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19/h3-10,17-18H,11-16,19H2,1-2H3,(H,30,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);4-13H,3,14H2,1-2H3,(H,25,26);3-12H,13H2,1-2H3,(H,24,25)
InChIKeyIEDIBPANLUDSCR-UHFFFAOYSA-N
MW2026.05 g/mol
LogP14.97
Rot. Bonds32

About N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide (PubChem CID 158672682) has the molecular formula C96H98Cl4N12O19S5 and a molecular weight of 2026.05 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
PubChem CID158672682
Molecular FormulaC96H98Cl4N12O19S5
Molecular Weight2026.05 g/mol
Exact Mass2022.44
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCN(S(C)(=O)=O)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1
InChIInChI=1S/C27H31ClN4O6S2.C26H27ClN4O5S.C22H21ClN2O4S.C21H19ClN2O4S/c1-39(34,35)19-21-7-6-20(17-26(21)38-16-15-31-11-13-32(14-12-31)40(2,36)37)27(33)30-22-8-9-24(28)23(18-22)25-5-3-4-10-29-25;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;1-3-29-21-12-15(7-8-16(21)14-30(2,27)28)22(26)25-17-9-10-19(23)18(13-17)20-6-4-5-11-24-20;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19/h3-10,17-18H,11-16,19H2,1-2H3,(H,30,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);4-13H,3,14H2,1-2H3,(H,25,26);3-12H,13H2,1-2H3,(H,24,25)
InChIKeyIEDIBPANLUDSCR-UHFFFAOYSA-N
XLogP14.97
TPSA414.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.05
LogP ≤ 514.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]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-[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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide (CID 158672682) is N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide is CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCN(S(C)(=O)=O)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1OCCN1CCNC(=O)C1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
The InChIKey is IEDIBPANLUDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O6S2.C26H27ClN4O5S.C22H21ClN2O4S.C21H19ClN2O4S/c1-39(34,35)19-21-7-6-20(17-26(21)38-16-15-31-11-13-32(14-12-31)40(2,36)37)27(33)30-22-8-9-24(28)23(18-22)25-5-3-4-10-29-25;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;1-3-29-21-12-15(7-8-16(21)14-30(2,27)28)22(26)25-17-9-10-19(23)18(13-17)20-6-4-5-11-24-20;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19/h3-10,17-18H,11-16,19H2,1-2H3,(H,30,33);2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33);4-13H,3,14H2,1-2H3,(H,25,26);3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide has a molecular weight of 2026.05 g/mol, XLogP of 14.97, 32 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-3-ethoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 158672682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).