4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C20H25N3O3S — CID 6467955

IUPAC4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(2)17-8-10-18(11-9-17)21-20(24)22-12-14-23(15-13-22)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyYVTZYBAMFXKGSI-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.35
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 6467955) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID6467955
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(2)17-8-10-18(11-9-17)21-20(24)22-12-14-23(15-13-22)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyYVTZYBAMFXKGSI-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
3-[4-(3,5-Difluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10273848
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
4-[(2E)-3-phenylprop-2-en-1-yl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1213452
Carbonic anhydrase inhibitor 3
CID 38150302
Arylsulfonylpiperazine, 35
CID 44237030
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446203

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 6467955) is 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is YVTZYBAMFXKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(2)17-8-10-18(11-9-17)21-20(24)22-12-14-23(15-13-22)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6467955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).