N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide

C22H30N4O6S — CID 54279097

IUPACN-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccco1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)C[C@@H]1O
InChIInChI=1S/C22H30N4O6S/c1-15(2)13-17(25-22(29)19-8-6-12-32-19)21(28)24-16-7-5-11-26(14-18(16)27)33(30,31)20-9-3-4-10-23-20/h3-4,6,8-10,12,15-18,27H,5,7,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16?,17?,18-/m0/s1
InChIKeyRPNHPWBATRXXQQ-ABHNRTSZSA-N
MW478.57 g/mol
LogP1.15
Rot. Bonds8

About N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide

N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide (PubChem CID 54279097) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
PubChem CID54279097
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC NameN-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccco1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)C[C@@H]1O
InChIInChI=1S/C22H30N4O6S/c1-15(2)13-17(25-22(29)19-8-6-12-32-19)21(28)24-16-7-5-11-26(14-18(16)27)33(30,31)20-9-3-4-10-23-20/h3-4,6,8-10,12,15-18,27H,5,7,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16?,17?,18-/m0/s1
InChIKeyRPNHPWBATRXXQQ-ABHNRTSZSA-N
XLogP1.15
TPSA141.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-difluoro-N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 91249647
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 91312639
tert-butyl N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10791044
N-[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]-4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfonylamino]pentanamide
CID 91076458
(2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-3-methylpentanamide
CID 69310541
N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 131726980
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxohexan-2-yl]quinoline-2-carboxamide
CID 54207192
N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 141047356
tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 11591391
N-[(2S)-1-[[(3R,4S)-3-hydroxy-3-methylsulfanyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 11699807
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-[1-[[(3S)-3-hydroxy-1-(3-methoxyphenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 56981089

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide (CID 54279097) is N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide is CC(C)CC(NC(=O)c1ccco1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)C[C@@H]1O.
What is the InChIKey of N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The InChIKey is RPNHPWBATRXXQQ-ABHNRTSZSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-15(2)13-17(25-22(29)19-8-6-12-32-19)21(28)24-16-7-5-11-26(14-18(16)27)33(30,31)20-9-3-4-10-23-20/h3-4,6,8-10,12,15-18,27H,5,7,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t16?,17?,18-/m0/s1.
What are the key properties of N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 54279097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).