N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

C20H29N3O6S — CID 58610042

IUPACN-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)[C@H](CC2CCCC2)NC(=O)c2ccco2)C(=O)C1
InChIInChI=1S/C20H29N3O6S/c1-30(27,28)23-10-4-8-15(17(24)13-23)21-19(25)16(12-14-6-2-3-7-14)22-20(26)18-9-5-11-29-18/h5,9,11,14-16H,2-4,6-8,10,12-13H2,1H3,(H,21,25)(H,22,26)/t15?,16-/m0/s1
InChIKeyGFCWGJQOMWLIGF-LYKKTTPLSA-N
MW439.53 g/mol
LogP1.07
Rot. Bonds7

About N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 58610042) has the molecular formula C20H29N3O6S and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID58610042
Molecular FormulaC20H29N3O6S
Molecular Weight439.53 g/mol
Exact Mass439.18
IUPAC NameN-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)[C@H](CC2CCCC2)NC(=O)c2ccco2)C(=O)C1
InChIInChI=1S/C20H29N3O6S/c1-30(27,28)23-10-4-8-15(17(24)13-23)21-19(25)16(12-14-6-2-3-7-14)22-20(26)18-9-5-11-29-18/h5,9,11,14-16H,2-4,6-8,10,12-13H2,1H3,(H,21,25)(H,22,26)/t15?,16-/m0/s1
InChIKeyGFCWGJQOMWLIGF-LYKKTTPLSA-N
XLogP1.07
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-4-methyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 69192674
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
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-[3-cyclohexyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]propan-2-yl]furan-2-carboxamide
CID 90779954
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)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]cyclobutanecarboxamide
CID 59073604
N-[(2S)-4-methyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 69180107
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 47089613
(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)-1-[[(4S)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 90919269
(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-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 58610042) is N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)[C@H](CC2CCCC2)NC(=O)c2ccco2)C(=O)C1.
What is the InChIKey of N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is GFCWGJQOMWLIGF-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H29N3O6S/c1-30(27,28)23-10-4-8-15(17(24)13-23)21-19(25)16(12-14-6-2-3-7-14)22-20(26)18-9-5-11-29-18/h5,9,11,14-16H,2-4,6-8,10,12-13H2,1H3,(H,21,25)(H,22,26)/t15?,16-/m0/s1.
What are the key properties of N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 58610042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).