N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

C15H16F3NO2S2 — CID 66907230

IUPACN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12
InChIInChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyZAYIZLUZQJTAFB-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.67
Rot. Bonds5

About N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (PubChem CID 66907230) has the molecular formula C15H16F3NO2S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
PubChem CID66907230
Molecular FormulaC15H16F3NO2S2
Molecular Weight363.43 g/mol
Exact Mass363.06
IUPAC NameN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12
InChIInChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyZAYIZLUZQJTAFB-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide 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

N-(2-cyclopropylethyl)-N-(3-methyl-1-benzothiophen-2-yl)-4-thiomorpholin-4-ylbenzenesulfonamide
CID 66906783
4-[2-cyclopropylethyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl]-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 66907681
1,1,1-trifluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
CID 87198996
2,2,2-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)-N-(5,5,5-trifluoropentyl)ethanesulfonamide
CID 87199073
4-[(3-methyl-1-benzothiophen-2-yl)-(4,4,4-trifluorobutyl)sulfamoyl]benzoic acid
CID 66907374
N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide
CID 66907367
N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 66907234
N-(3-methyl-1-benzothiophen-2-yl)-4-(5-oxo-1,2,4-oxadiazolidin-3-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 77215408
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
CID 66907245
3,4-difluoro-N-(2-fluoroethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 87199064
2-[di(propan-2-yl)amino]-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 46833202
N-[2-(dimethylamino)ethyl]-1-[(3-methyl-1-benzothiophen-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]piperidine-4-carboxamide
CID 46834924

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The IUPAC name of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (CID 66907230) is N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is Cc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12.
What is the InChIKey of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The InChIKey is ZAYIZLUZQJTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide has a molecular weight of 363.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is sourced from PubChem (CID 66907230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).