4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C16H17F3N2O3S2 — CID 6503209

IUPAC4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2O3S2/c1-3-21(4-2)26(23,24)13-9-14(25-10-13)15(22)20-12-7-5-6-11(8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyYCKIRUMAHBGYHC-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.05
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 6503209) has the molecular formula C16H17F3N2O3S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID6503209
Molecular FormulaC16H17F3N2O3S2
Molecular Weight406.45 g/mol
Exact Mass406.06
IUPAC Name4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2O3S2/c1-3-21(4-2)26(23,24)13-9-14(25-10-13)15(22)20-12-7-5-6-11(8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyYCKIRUMAHBGYHC-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503155
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 6503209) is 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YCKIRUMAHBGYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S2/c1-3-21(4-2)26(23,24)13-9-14(25-10-13)15(22)20-12-7-5-6-11(8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6503209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).