4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide

C18H19F3N2O3S2 — CID 86807348

IUPAC4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)C(C)C1CC1
InChIInChI=1S/C18H19F3N2O3S2/c1-10(12-6-7-12)23(14-5-3-4-13(8-14)18(19,20)21)28(25,26)16-9-15(17(22)24)27-11(16)2/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,24)
InChIKeyYHUSBHVBNXUKFN-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.17
Rot. Bonds6

About 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide

4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide (PubChem CID 86807348) has the molecular formula C18H19F3N2O3S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide
PubChem CID86807348
Molecular FormulaC18H19F3N2O3S2
Molecular Weight432.49 g/mol
Exact Mass432.08
IUPAC Name4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)C(C)C1CC1
InChIInChI=1S/C18H19F3N2O3S2/c1-10(12-6-7-12)23(14-5-3-4-13(8-14)18(19,20)21)28(25,26)16-9-15(17(22)24)27-11(16)2/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,24)
InChIKeyYHUSBHVBNXUKFN-UHFFFAOYSA-N
XLogP4.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
CID 86807349
2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
CID 132668719
3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 67553495
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid
CID 141280162
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoic acid
CID 50893228
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133210830
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
N-(2-methylsulfanylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132669487
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide (CID 86807348) is 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)C(C)C1CC1.
What is the InChIKey of 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The InChIKey is YHUSBHVBNXUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S2/c1-10(12-6-7-12)23(14-5-3-4-13(8-14)18(19,20)21)28(25,26)16-9-15(17(22)24)27-11(16)2/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,24).
What are the key properties of 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 86807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).