N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide

C25H32N4O6S — CID 90779954

IUPACN-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(CC1CCCCC1)C(=O)N[C@@H]1C(=O)CCCCN1S(=O)(=O)c1ccccn1)c1ccco1
InChIInChI=1S/C25H32N4O6S/c30-20-11-5-7-15-29(36(33,34)22-13-4-6-14-26-22)23(20)28-24(31)19(17-18-9-2-1-3-10-18)27-25(32)21-12-8-16-35-21/h4,6,8,12-14,16,18-19,23H,1-3,5,7,9-11,15,17H2,(H,27,32)(H,28,31)/t19?,23-/m0/s1
InChIKeyUBNLHKNEWKNPQW-BVHINDKJSA-N
MW516.62 g/mol
LogP2.63
Rot. Bonds8

About N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide

N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide (PubChem CID 90779954) has the molecular formula C25H32N4O6S and a molecular weight of 516.62 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide
PubChem CID90779954
Molecular FormulaC25H32N4O6S
Molecular Weight516.62 g/mol
Exact Mass516.20
IUPAC NameN-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(CC1CCCCC1)C(=O)N[C@@H]1C(=O)CCCCN1S(=O)(=O)c1ccccn1)c1ccco1
InChIInChI=1S/C25H32N4O6S/c30-20-11-5-7-15-29(36(33,34)22-13-4-6-14-26-22)23(20)28-24(31)19(17-18-9-2-1-3-10-18)27-25(32)21-12-8-16-35-21/h4,6,8,12-14,16,18-19,23H,1-3,5,7,9-11,15,17H2,(H,27,32)(H,28,31)/t19?,23-/m0/s1
InChIKeyUBNLHKNEWKNPQW-BVHINDKJSA-N
XLogP2.63
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[4-methyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]pentan-2-yl]furan-2-carboxamide
CID 91056722
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-[[2-oxo-1-[propyl(pyridin-2-ylsulfonyl)amino]pentan-3-yl]amino]propan-2-yl]furan-2-carboxamide
CID 142098197
N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 58610042
5-(4-chlorophenyl)-N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]furan-2-carboxamide
CID 59073590
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 54279097
N-[(2S)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]cyclobutanecarboxamide
CID 59073604
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-[(2S)-4,4-dimethyl-1-[[(4S)-7-methyl-3-oxo-1-pyridin-2-ylsulfonyl-4,5-dihydro-2H-azepin-4-yl]amino]-1-oxopentan-2-yl]furan-2-carboxamide
CID 142098207
N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-3-phenyltriazole-4-carboxamide
CID 10371249
(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-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide
CID 140500262

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide (CID 90779954) is N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide is O=C(NC(CC1CCCCC1)C(=O)N[C@@H]1C(=O)CCCCN1S(=O)(=O)c1ccccn1)c1ccco1.
What is the InChIKey of N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide?
The InChIKey is UBNLHKNEWKNPQW-BVHINDKJSA-N. The full InChI is InChI=1S/C25H32N4O6S/c30-20-11-5-7-15-29(36(33,34)22-13-4-6-14-26-22)23(20)28-24(31)19(17-18-9-2-1-3-10-18)27-25(32)21-12-8-16-35-21/h4,6,8,12-14,16,18-19,23H,1-3,5,7,9-11,15,17H2,(H,27,32)(H,28,31)/t19?,23-/m0/s1.
What are the key properties of N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide?
N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90779954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).