N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C24H33N5O4S — CID 55744204

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cn2)CC1
InChIInChI=1S/C24H33N5O4S/c1-3-27-8-10-28(11-9-27)23-7-5-20(17-25-23)18-26-24(30)22-16-21(6-4-19(22)2)34(31,32)29-12-14-33-15-13-29/h4-7,16-17H,3,8-15,18H2,1-2H3,(H,26,30)
InChIKeyZAUVHXTXSRHZND-UHFFFAOYSA-N
MW487.63 g/mol
LogP1.48
Rot. Bonds7

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55744204) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55744204
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cn2)CC1
InChIInChI=1S/C24H33N5O4S/c1-3-27-8-10-28(11-9-27)23-7-5-20(17-25-23)18-26-24(30)22-16-21(6-4-19(22)2)34(31,32)29-12-14-33-15-13-29/h4-7,16-17H,3,8-15,18H2,1-2H3,(H,26,30)
InChIKeyZAUVHXTXSRHZND-UHFFFAOYSA-N
XLogP1.48
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 30382359
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43908455
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55749704
2-methyl-5-morpholin-4-ylsulfonyl-N-(2-pyridin-3-ylethyl)benzamide
CID 55555141
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 86954311
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55735627
2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801593

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 55744204) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is CCN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZAUVHXTXSRHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-3-27-8-10-28(11-9-27)23-7-5-20(17-25-23)18-26-24(30)22-16-21(6-4-19(22)2)34(31,32)29-12-14-33-15-13-29/h4-7,16-17H,3,8-15,18H2,1-2H3,(H,26,30).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 487.63 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).