(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C23H30N2O3S — CID 95088188

IUPAC(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-17-10-11-21(19(3)14-17)29(27,28)25-13-7-12-23(4,16-25)22(26)24-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyUNZMMVKXHULVAU-HSZRJFAPSA-N
MW414.57 g/mol
LogP3.72
Rot. Bonds5

About (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95088188) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID95088188
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-17-10-11-21(19(3)14-17)29(27,28)25-13-7-12-23(4,16-25)22(26)24-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyUNZMMVKXHULVAU-HSZRJFAPSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95088204
(3R)-1-(2-chlorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088198
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011236
(3R)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 93071380
(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088178
1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117240
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 53117443
(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071426
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 95088188) is (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(C)c1.
What is the InChIKey of (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UNZMMVKXHULVAU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-10-11-21(19(3)14-17)29(27,28)25-13-7-12-23(4,16-25)22(26)24-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,24,26)/t23-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95088188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).