N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C26H34N4O6S — CID 56670151

IUPACN-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C26H34N4O6S/c1-18-10-11-19(21(31)17-30(18)37(34,35)23-9-3-6-14-27-23)28-24(32)20(16-26(2)12-4-5-13-26)29-25(33)22-8-7-15-36-22/h3,6-9,14-15,18-20H,4-5,10-13,16-17H2,1-2H3,(H,28,32)(H,29,33)/t18-,19+,20+/m1/s1
InChIKeyGIQMZBQRQSROHM-AABGKKOBSA-N
MW530.65 g/mol
LogP2.67
Rot. Bonds8

About N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 56670151) has the molecular formula C26H34N4O6S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID56670151
Molecular FormulaC26H34N4O6S
Molecular Weight530.65 g/mol
Exact Mass530.22
IUPAC NameN-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C26H34N4O6S/c1-18-10-11-19(21(31)17-30(18)37(34,35)23-9-3-6-14-27-23)28-24(32)20(16-26(2)12-4-5-13-26)29-25(33)22-8-7-15-36-22/h3,6-9,14-15,18-20H,4-5,10-13,16-17H2,1-2H3,(H,28,32)(H,29,33)/t18-,19+,20+/m1/s1
InChIKeyGIQMZBQRQSROHM-AABGKKOBSA-N
XLogP2.67
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 56670151) is N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is GIQMZBQRQSROHM-AABGKKOBSA-N. The full InChI is InChI=1S/C26H34N4O6S/c1-18-10-11-19(21(31)17-30(18)37(34,35)23-9-3-6-14-27-23)28-24(32)20(16-26(2)12-4-5-13-26)29-25(33)22-8-7-15-36-22/h3,6-9,14-15,18-20H,4-5,10-13,16-17H2,1-2H3,(H,28,32)(H,29,33)/t18-,19+,20+/m1/s1.
What are the key properties of N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 56670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).