1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide

C24H32N2O3S — CID 86939529

IUPAC1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H32N2O3S/c1-18(2)23(22-12-8-7-9-19(22)3)25-24(27)21-13-15-26(16-14-21)30(28,29)17-20-10-5-4-6-11-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,25,27)
InChIKeyZUOIHWAJWMBHTN-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.05
Rot. Bonds7

About 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 86939529) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID86939529
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H32N2O3S/c1-18(2)23(22-12-8-7-9-19(22)3)25-24(27)21-13-15-26(16-14-21)30(28,29)17-20-10-5-4-6-11-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,25,27)
InChIKeyZUOIHWAJWMBHTN-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43916659
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-benzylsulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92675990
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 75429385
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
N-(3-methyl-1-phenylbutyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772832
1-[(2-fluorophenyl)methylsulfonyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 92675568

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide (CID 86939529) is 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide is Cc1ccccc1C(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(C)C.
What is the InChIKey of 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is ZUOIHWAJWMBHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18(2)23(22-12-8-7-9-19(22)3)25-24(27)21-13-15-26(16-14-21)30(28,29)17-20-10-5-4-6-11-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,25,27).
What are the key properties of 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 86939529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).