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

C23H29N3O4S — CID 132672917

IUPAC1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)C1
InChIInChI=1S/C23H29N3O4S/c1-3-31(29,30)26-15-9-12-19(16-26)22(27)25-21-14-8-7-13-20(21)23(28)24-17(2)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIRYQWPNFCCSRRF-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.18
Rot. Bonds7

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

1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 132672917) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID132672917
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)C1
InChIInChI=1S/C23H29N3O4S/c1-3-31(29,30)26-15-9-12-19(16-26)22(27)25-21-14-8-7-13-20(21)23(28)24-17(2)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIRYQWPNFCCSRRF-UHFFFAOYSA-N
XLogP3.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
(3R)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94027770
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
(3S)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28636107
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133167979

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 132672917) is 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is IRYQWPNFCCSRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-31(29,30)26-15-9-12-19(16-26)22(27)25-21-14-8-7-13-20(21)23(28)24-17(2)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 132672917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).