N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide

C17H14F2N2O3S2 — CID 50810288

IUPACN-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
SMILESCN(c1ccc2sc(C(=O)Nc3ccc(F)cc3F)cc2c1)S(C)(=O)=O
InChIInChI=1S/C17H14F2N2O3S2/c1-21(26(2,23)24)12-4-6-15-10(7-12)8-16(25-15)17(22)20-14-5-3-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,22)
InChIKeyKQTNNTRFEBVIMC-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.83
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide

N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 50810288) has the molecular formula C17H14F2N2O3S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID50810288
Molecular FormulaC17H14F2N2O3S2
Molecular Weight396.44 g/mol
Exact Mass396.04
IUPAC NameN-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
SMILESCN(c1ccc2sc(C(=O)Nc3ccc(F)cc3F)cc2c1)S(C)(=O)=O
InChIInChI=1S/C17H14F2N2O3S2/c1-21(26(2,23)24)12-4-6-15-10(7-12)8-16(25-15)17(22)20-14-5-3-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,22)
InChIKeyKQTNNTRFEBVIMC-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810624
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001427
N-(3-methylbutyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810473
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 133239187
N-(5-chloro-2-methoxyphenyl)-5-[ethylsulfonyl(methyl)amino]-1-benzothiophene-2-carboxamide
CID 50810479
N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-N-methylmethanesulfonamide
CID 50810442
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11234881
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246826
N-(2-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810758
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246816
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 100767128
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide (CID 50810288) is N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide is CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3F)cc2c1)S(C)(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is KQTNNTRFEBVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S2/c1-21(26(2,23)24)12-4-6-15-10(7-12)8-16(25-15)17(22)20-14-5-3-11(18)9-13(14)19/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).