(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide

C16H24N4O4S — CID 69308262

IUPAC(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O
InChIInChI=1S/C16H24N4O4S/c1-2-6-12(17)16(22)19-13-7-5-10-20(11-14(13)21)25(23,24)15-8-3-4-9-18-15/h3-4,8-9,12-13H,2,5-7,10-11,17H2,1H3,(H,19,22)/t12-,13?/m0/s1
InChIKeyXHCVQSVKVQQRBX-UEWDXFNNSA-N
MW368.46 g/mol
LogP0.05
Rot. Bonds6

About (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide

(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide (PubChem CID 69308262) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
PubChem CID69308262
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O
InChIInChI=1S/C16H24N4O4S/c1-2-6-12(17)16(22)19-13-7-5-10-20(11-14(13)21)25(23,24)15-8-3-4-9-18-15/h3-4,8-9,12-13H,2,5-7,10-11,17H2,1H3,(H,19,22)/t12-,13?/m0/s1
InChIKeyXHCVQSVKVQQRBX-UEWDXFNNSA-N
XLogP0.05
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
CID 69310639
2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide
CID 173158719
N-[(2S)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]cyclobutanecarboxamide
CID 59073604
(2S)-2-amino-4-methyl-N-(5-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69000638
5-fluoro-N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045775
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
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-5-carboxamide
CID 91410163
(E)-N-[(2S)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]-3-hydroxy-2-[(Z)-prop-1-enyl]sulfanylbut-2-enamide
CID 142098255
N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-1-benzothiophene-3-carboxamide
CID 10186667
5-methoxy-N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045843
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide (CID 69308262) is (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide is CCC[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O.
What is the InChIKey of (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The InChIKey is XHCVQSVKVQQRBX-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-2-6-12(17)16(22)19-13-7-5-10-20(11-14(13)21)25(23,24)15-8-3-4-9-18-15/h3-4,8-9,12-13H,2,5-7,10-11,17H2,1H3,(H,19,22)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide has a molecular weight of 368.46 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide is sourced from PubChem (CID 69308262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).