4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide

C27H26N2O3S — CID 16833704

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C27H26N2O3S/c1-20(2)29(19-21-9-4-3-5-10-21)33(31,32)24-17-15-23(16-18-24)27(30)28-26-14-8-12-22-11-6-7-13-25(22)26/h3-18,20H,19H2,1-2H3,(H,28,30)
InChIKeyJTPAEEAZMQUZKN-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.69
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide (PubChem CID 16833704) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
PubChem CID16833704
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C27H26N2O3S/c1-20(2)29(19-21-9-4-3-5-10-21)33(31,32)24-17-15-23(16-18-24)27(30)28-26-14-8-12-22-11-6-7-13-25(22)26/h3-18,20H,19H2,1-2H3,(H,28,30)
InChIKeyJTPAEEAZMQUZKN-UHFFFAOYSA-N
XLogP5.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide 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

4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 43947094
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide (CID 16833704) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide?
The InChIKey is JTPAEEAZMQUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-20(2)29(19-21-9-4-3-5-10-21)33(31,32)24-17-15-23(16-18-24)27(30)28-26-14-8-12-22-11-6-7-13-25(22)26/h3-18,20H,19H2,1-2H3,(H,28,30).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide has a molecular weight of 458.58 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 16833704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).