5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide

C21H26N2O3S — CID 34045656

IUPAC5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1C(N)=O
InChIInChI=1S/C21H26N2O3S/c1-14(2)17-7-5-16(6-8-17)13-23(18-9-10-18)27(25,26)19-11-4-15(3)20(12-19)21(22)24/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H2,22,24)
InChIKeyHHZFSRAUQVSEAB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.57
Rot. Bonds7

About 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide

5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide (PubChem CID 34045656) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide
PubChem CID34045656
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1C(N)=O
InChIInChI=1S/C21H26N2O3S/c1-14(2)17-7-5-16(6-8-17)13-23(18-9-10-18)27(25,26)19-11-4-15(3)20(12-19)21(22)24/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H2,22,24)
InChIKeyHHZFSRAUQVSEAB-UHFFFAOYSA-N
XLogP3.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide 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

dimethyl 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 24511103
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24511102
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
CID 47027380
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
CID 3456731
N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 31534798
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 17491309
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679199
N-cyclopropyl-4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]benzamide
CID 24679131
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide (CID 34045656) is 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1C(N)=O.
What is the InChIKey of 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide?
The InChIKey is HHZFSRAUQVSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)17-7-5-16(6-8-17)13-23(18-9-10-18)27(25,26)19-11-4-15(3)20(12-19)21(22)24/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H2,22,24).
What are the key properties of 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide?
5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 34045656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).