N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C21H23FN2O3S2 — CID 18230489

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2C)ccc1C
InChIInChI=1S/C21H23FN2O3S2/c1-5-24(6-2)29(26,27)18-12-15(11-10-13(18)3)23-21(25)20-14(4)19-16(22)8-7-9-17(19)28-20/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeyRWMJNWYMOKNAND-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.94
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 18230489) has the molecular formula C21H23FN2O3S2 and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID18230489
Molecular FormulaC21H23FN2O3S2
Molecular Weight434.56 g/mol
Exact Mass434.11
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2C)ccc1C
InChIInChI=1S/C21H23FN2O3S2/c1-5-24(6-2)29(26,27)18-12-15(11-10-13(18)3)23-21(25)20-14(4)19-16(22)8-7-9-17(19)28-20/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeyRWMJNWYMOKNAND-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 26720316
N-[5-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25443607
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
CID 60599109
4-fluoro-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 28545025
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
1-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-fluorophenyl)thiourea
CID 5010403
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 18230489) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is RWMJNWYMOKNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S2/c1-5-24(6-2)29(26,27)18-12-15(11-10-13(18)3)23-21(25)20-14(4)19-16(22)8-7-9-17(19)28-20/h7-12H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18230489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).