4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C16H21F3N2O3S — CID 51126304

IUPAC4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H21F3N2O3S/c1-11(2)9-21(10-16(17,18)19)15(22)12-3-7-14(8-4-12)25(23,24)20-13-5-6-13/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3
InChIKeyCILUYGXFPMXCEP-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.79
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51126304) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51126304
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H21F3N2O3S/c1-11(2)9-21(10-16(17,18)19)15(22)12-3-7-14(8-4-12)25(23,24)20-13-5-6-13/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3
InChIKeyCILUYGXFPMXCEP-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide 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

2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119123974
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
CID 55594795
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 51126304) is 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CILUYGXFPMXCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-11(2)9-21(10-16(17,18)19)15(22)12-3-7-14(8-4-12)25(23,24)20-13-5-6-13/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3.
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 378.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51126304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).