N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide

C21H22N2O5S2 — CID 50928100

IUPACN-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-14-6-5-7-16(12-14)23(2)30(25,26)19-10-11-29-20(19)21(24)22-15-8-9-17(27-3)18(13-15)28-4/h5-13H,1-4H3,(H,22,24)
InChIKeyZVQIHWHFAAEVNE-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.15
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide

N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 50928100) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID50928100
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-14-6-5-7-16(12-14)23(2)30(25,26)19-10-11-29-20(19)21(24)22-15-8-9-17(27-3)18(13-15)28-4/h5-13H,1-4H3,(H,22,24)
InChIKeyZVQIHWHFAAEVNE-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732
methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
CID 177379015
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
5-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 92670656
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 171727968
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide (CID 50928100) is N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is ZVQIHWHFAAEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-14-6-5-7-16(12-14)23(2)30(25,26)19-10-11-29-20(19)21(24)22-15-8-9-17(27-3)18(13-15)28-4/h5-13H,1-4H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide?
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 50928100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).