N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

C21H27N3O3S — CID 4534701

IUPACN-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-7-13-19(14-8-16)28(26,27)24-15-5-4-6-20(24)21(25)22-17-9-11-18(12-10-17)23(2)3/h7-14,20H,4-6,15H2,1-3H3,(H,22,25)
InChIKeyHBDQEELBPBHIKE-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 4534701) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID4534701
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-7-13-19(14-8-16)28(26,27)24-15-5-4-6-20(24)21(25)22-17-9-11-18(12-10-17)23(2)3/h7-14,20H,4-6,15H2,1-3H3,(H,22,25)
InChIKeyHBDQEELBPBHIKE-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
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)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55943643
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
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-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 4534701) is N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is HBDQEELBPBHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-7-13-19(14-8-16)28(26,27)24-15-5-4-6-20(24)21(25)22-17-9-11-18(12-10-17)23(2)3/h7-14,20H,4-6,15H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 4534701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).