N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C20H25N3O3S — CID 7388109

IUPACN-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-8-10-19(11-9-17)27(25,26)23(16-18-6-4-3-5-7-18)20(24)22-14-12-21(2)13-15-22/h3-11H,12-16H2,1-2H3
InChIKeyYLQIMDLHNNYLRH-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.55
Rot. Bonds4

About N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 7388109) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID7388109
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-8-10-19(11-9-17)27(25,26)23(16-18-6-4-3-5-7-18)20(24)22-14-12-21(2)13-15-22/h3-11H,12-16H2,1-2H3
InChIKeyYLQIMDLHNNYLRH-UHFFFAOYSA-N
XLogP2.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
4-[2-[4-[(4-Methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
CID 157010568
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine
CID 3680094
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 51031036
1-[(1S)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 127045089
1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine
CID 703908
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
Benzenesulfonamide, N-methyl-N-[4-[4-[[[methyl(phenylmethyl)amino]carbonyl]propylamino]-1-piperidinyl]-2-phenylbutyl]-
CID 478448
2-Morpholin-4-yl-1-[2-phenyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 646974
(4-(Mesitylsulfonyl)piperazin-1-yl)(piperidin-1-yl)methanone
CID 2211015

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 7388109) is N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is YLQIMDLHNNYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-8-10-19(11-9-17)27(25,26)23(16-18-6-4-3-5-7-18)20(24)22-14-12-21(2)13-15-22/h3-11H,12-16H2,1-2H3.
What are the key properties of N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 7388109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).