4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide

C20H25N3O3S — CID 136577422

IUPAC4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C(c2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c1-22-12-13-23(19(15-22)17-6-4-3-5-7-17)20(24)21-14-16-8-10-18(11-9-16)27(2,25)26/h3-11,19H,12-15H2,1-2H3,(H,21,24)
InChIKeyYVWRDEYTGPJIAL-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.29
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide

4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide (PubChem CID 136577422) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
PubChem CID136577422
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C(c2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c1-22-12-13-23(19(15-22)17-6-4-3-5-7-17)20(24)21-14-16-8-10-18(11-9-16)27(2,25)26/h3-11,19H,12-15H2,1-2H3,(H,21,24)
InChIKeyYVWRDEYTGPJIAL-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-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

(2S)-N-benzyl-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 9284271
4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide
CID 166210831
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
CID 115584071
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 25493290
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide (CID 136577422) is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide?
The InChIKey is YVWRDEYTGPJIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22-12-13-23(19(15-22)17-6-4-3-5-7-17)20(24)21-14-16-8-10-18(11-9-16)27(2,25)26/h3-11,19H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide?
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 136577422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).