1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide

C27H29N3O4S — CID 26242729

IUPAC1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O4S/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)29-26(31)22-16-18-30(19-17-22)35(33,34)23-12-6-3-7-13-23/h2-15,20,22H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
InChIKeyMJBUXYHVYBAILJ-FQEVSTJZSA-N
MW491.61 g/mol
LogP4.22
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 26242729) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
PubChem CID26242729
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O4S/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)29-26(31)22-16-18-30(19-17-22)35(33,34)23-12-6-3-7-13-23/h2-15,20,22H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
InChIKeyMJBUXYHVYBAILJ-FQEVSTJZSA-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-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99130152
1-(4-methylphenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100648054
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132672917
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
1-[(3-bromophenyl)methylsulfonyl]-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99644620
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide (CID 26242729) is 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide is C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is MJBUXYHVYBAILJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)29-26(31)22-16-18-30(19-17-22)35(33,34)23-12-6-3-7-13-23/h2-15,20,22H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-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-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26242729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).