4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C21H27N3O3S — CID 7388118

IUPAC4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17-4-8-19(9-5-17)16-24(21(25)23-14-12-22(3)13-15-23)28(26,27)20-10-6-18(2)7-11-20/h4-11H,12-16H2,1-3H3
InChIKeyKSWCWCIVUJRFHM-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.86
Rot. Bonds4

About 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 7388118) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID7388118
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17-4-8-19(9-5-17)16-24(21(25)23-14-12-22(3)13-15-23)28(26,27)20-10-6-18(2)7-11-20/h4-11H,12-16H2,1-3H3
InChIKeyKSWCWCIVUJRFHM-UHFFFAOYSA-N
XLogP2.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-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

CID 711024
CID 711024
CID 157010568
CID 157010568
CID 9207921
CID 9207921
CID 764400
CID 764400
CID 3680094
CID 3680094
CID 51031036
CID 51031036
CID 127045089
CID 127045089
CID 703908
CID 703908
CID 16317268
CID 16317268
CID 2796174
CID 2796174
CID 2845056
CID 2845056
CID 3242181
CID 3242181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 7388118) is 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is KSWCWCIVUJRFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-4-8-19(9-5-17)16-24(21(25)23-14-12-22(3)13-15-23)28(26,27)20-10-6-18(2)7-11-20/h4-11H,12-16H2,1-3H3.
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 7388118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).