2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide

C21H24N4O5S — CID 173158719

IUPAC2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O
InChIInChI=1S/C21H24N4O5S/c22-21(28)16-7-2-1-6-15(16)10-11-19(27)24-17-8-5-13-25(14-18(17)26)31(29,30)20-9-3-4-12-23-20/h1-4,6-7,9,12,17H,5,8,10-11,13-14H2,(H2,22,28)(H,24,27)/t17-/m0/s1
InChIKeySFKWCUXHPUCLMC-KRWDZBQOSA-N
MW444.51 g/mol
LogP0.65
Rot. Bonds7

About 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide

2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide (PubChem CID 173158719) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide
PubChem CID173158719
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O
InChIInChI=1S/C21H24N4O5S/c22-21(28)16-7-2-1-6-15(16)10-11-19(27)24-17-8-5-13-25(14-18(17)26)31(29,30)20-9-3-4-12-23-20/h1-4,6-7,9,12,17H,5,8,10-11,13-14H2,(H2,22,28)(H,24,27)/t17-/m0/s1
InChIKeySFKWCUXHPUCLMC-KRWDZBQOSA-N
XLogP0.65
TPSA139.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69308262
1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
CID 69310639
N-[(2S)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]cyclobutanecarboxamide
CID 59073604
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-5-carboxamide
CID 91410163
N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide
CID 70120789
N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-1-benzothiophene-3-carboxamide
CID 10186667
(2S)-2-[[(1S)-1-[4-(2-acetylphenyl)phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 11285364
(2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide
CID 10279645
N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
CID 59073592
N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-1H-pyrazole-4-carboxamide
CID 58610033
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-3-carboxamide
CID 54302244
N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-3-carboxamide
CID 59045864

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide?
The IUPAC name of 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide (CID 173158719) is 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide.
What is the SMILES notation for 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide?
The canonical SMILES for 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide is NC(=O)c1ccccc1CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O.
What is the InChIKey of 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide?
The InChIKey is SFKWCUXHPUCLMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O5S/c22-21(28)16-7-2-1-6-15(16)10-11-19(27)24-17-8-5-13-25(14-18(17)26)31(29,30)20-9-3-4-12-23-20/h1-4,6-7,9,12,17H,5,8,10-11,13-14H2,(H2,22,28)(H,24,27)/t17-/m0/s1.
What are the key properties of 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide?
2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide is sourced from PubChem (CID 173158719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).