1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide

C28H32N2O3S — CID 43916659

IUPAC1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc(CS(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H32N2O3S/c1-21-9-8-11-23(19-21)20-34(32,33)30-17-15-25(16-18-30)28(31)29-27(24-12-4-3-5-13-24)26-14-7-6-10-22(26)2/h3-14,19,25,27H,15-18,20H2,1-2H3,(H,29,31)
InChIKeyOWASBKVVWYNCQT-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.75
Rot. Bonds7

About 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide

1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 43916659) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID43916659
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC Name1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc(CS(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H32N2O3S/c1-21-9-8-11-23(19-21)20-34(32,33)30-17-15-25(16-18-30)28(31)29-27(24-12-4-3-5-13-24)26-14-7-6-10-22(26)2/h3-14,19,25,27H,15-18,20H2,1-2H3,(H,29,31)
InChIKeyOWASBKVVWYNCQT-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554601
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
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 86939529
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(R)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 94864635
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 43885252

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (CID 43916659) is 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is OWASBKVVWYNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-21-9-8-11-23(19-21)20-34(32,33)30-17-15-25(16-18-30)28(31)29-27(24-12-4-3-5-13-24)26-14-7-6-10-22(26)2/h3-14,19,25,27H,15-18,20H2,1-2H3,(H,29,31).
What are the key properties of 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43916659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).