(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide

C24H32N2O3S — CID 7872517

IUPAC(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-15-10-11-21(14-16(15)2)25-24(27)22-9-7-8-12-26(22)30(28,29)23-19(5)17(3)13-18(4)20(23)6/h10-11,13-14,22H,7-9,12H2,1-6H3,(H,25,27)/t22-/m1/s1
InChIKeyIFOVNTDNKJQRCZ-JOCHJYFZSA-N
MW428.60 g/mol
LogP4.72
Rot. Bonds4

About (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 7872517) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID7872517
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C
InChIInChI=1S/C24H32N2O3S/c1-15-10-11-21(14-16(15)2)25-24(27)22-9-7-8-12-26(22)30(28,29)23-19(5)17(3)13-18(4)20(23)6/h10-11,13-14,22H,7-9,12H2,1-6H3,(H,25,27)/t22-/m1/s1
InChIKeyIFOVNTDNKJQRCZ-JOCHJYFZSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
(2S)-N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 16566400
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(3S)-N-(4-bromo-3-methylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2409542
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-N-(3,4-dimethylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 92889775
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide (CID 7872517) is (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is IFOVNTDNKJQRCZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-15-10-11-21(14-16(15)2)25-24(27)22-9-7-8-12-26(22)30(28,29)23-19(5)17(3)13-18(4)20(23)6/h10-11,13-14,22H,7-9,12H2,1-6H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 7872517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).