N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide

C17H19FN2O4S2 — CID 121295225

IUPACN-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NC3(C)COC3)c(C)s2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-10-6-12(4-5-13(10)18)19-16(21)14-7-15(11(2)25-14)26(22,23)20-17(3)8-24-9-17/h4-7,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyVSZLITWGQNGOAT-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.82
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide

N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 121295225) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID121295225
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NC3(C)COC3)c(C)s2)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-10-6-12(4-5-13(10)18)19-16(21)14-7-15(11(2)25-14)26(22,23)20-17(3)8-24-9-17/h4-7,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyVSZLITWGQNGOAT-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-fluoro-1-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]pyrrole-2-carboxamide
CID 163458267
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[2-[(3-methyloxetan-3-yl)amino]-2-oxoacetyl]thiophene-3-carboxamide
CID 164792399
3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide
CID 123264045
N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
3-fluoro-N-(4-fluoro-3-methylphenyl)-1-methyl-4-[2-[(3-methyloxetan-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 146384223
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide
CID 6502917
2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 146496169
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
CID 90075165

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide (CID 121295225) is N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)NC3(C)COC3)c(C)s2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is VSZLITWGQNGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-10-6-12(4-5-13(10)18)19-16(21)14-7-15(11(2)25-14)26(22,23)20-17(3)8-24-9-17/h4-7,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide?
N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 121295225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).