(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

C21H25N3O4S — CID 8701358

IUPAC(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-14-4-3-5-20(24)21(26)23-18-10-8-17(9-11-18)22-16(2)25/h6-13,20H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyPKXNKLOFHUCOLB-HXUWFJFHSA-N
MW415.52 g/mol
LogP3.14
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 8701358) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID8701358
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-14-4-3-5-20(24)21(26)23-18-10-8-17(9-11-18)22-16(2)25/h6-13,20H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyPKXNKLOFHUCOLB-HXUWFJFHSA-N
XLogP3.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 4534701
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25408726
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
CID 7058608
1-(4-methylphenyl)sulfonyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55335881
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 8701358) is (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is PKXNKLOFHUCOLB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-14-4-3-5-20(24)21(26)23-18-10-8-17(9-11-18)22-16(2)25/h6-13,20H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 8701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).