1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

C27H29N3O4S — CID 133167756

IUPAC1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C27H29N3O4S/c1-20(21-11-4-2-5-12-21)28-27(32)24-16-8-9-17-25(24)29-26(31)22-13-10-18-30(19-22)35(33,34)23-14-6-3-7-15-23/h2-9,11-12,14-17,20,22H,10,13,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyUASDZXVRXCYWIO-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.22
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 133167756) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID133167756
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C27H29N3O4S/c1-20(21-11-4-2-5-12-21)28-27(32)24-16-8-9-17-25(24)29-26(31)22-13-10-18-30(19-22)35(33,34)23-14-6-3-7-15-23/h2-9,11-12,14-17,20,22H,10,13,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyUASDZXVRXCYWIO-UHFFFAOYSA-N
XLogP4.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132672917
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
(3R)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94027770
1-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133167979
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 133167756) is 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is UASDZXVRXCYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-20(21-11-4-2-5-12-21)28-27(32)24-16-8-9-17-25(24)29-26(31)22-13-10-18-30(19-22)35(33,34)23-14-6-3-7-15-23/h2-9,11-12,14-17,20,22H,10,13,18-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 133167756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).