1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide

C26H28N4O4S — CID 73259521

IUPAC1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H28N4O4S/c31-25(21-12-9-17-30(19-21)35(33,34)22-13-5-2-6-14-22)28-23(18-20-10-3-1-4-11-20)26(32)29-24-15-7-8-16-27-24/h1-8,10-11,13-16,21,23H,9,12,17-19H2,(H,28,31)(H,27,29,32)
InChIKeyJIJVRYXRFOYUQH-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.85
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide (PubChem CID 73259521) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide
PubChem CID73259521
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H28N4O4S/c31-25(21-12-9-17-30(19-21)35(33,34)22-13-5-2-6-14-22)28-23(18-20-10-3-1-4-11-20)26(32)29-24-15-7-8-16-27-24/h1-8,10-11,13-16,21,23H,9,12,17-19H2,(H,28,31)(H,27,29,32)
InChIKeyJIJVRYXRFOYUQH-UHFFFAOYSA-N
XLogP2.85
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
(3S)-1-(benzenesulfonyl)-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-3-carboxamide
CID 41062120
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3S)-1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]piperidine-3-carboxamide
CID 41009446
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-3-carboxamide
CID 41063292
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
CID 71710468
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703129
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009604
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 71710463
(3S)-1-(benzenesulfonyl)-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 97263015

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide (CID 73259521) is 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is JIJVRYXRFOYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c31-25(21-12-9-17-30(19-21)35(33,34)22-13-5-2-6-14-22)28-23(18-20-10-3-1-4-11-20)26(32)29-24-15-7-8-16-27-24/h1-8,10-11,13-16,21,23H,9,12,17-19H2,(H,28,31)(H,27,29,32).
What are the key properties of 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 73259521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).