4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide

C21H22N2O4S2 — CID 167890274

IUPAC4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3S(N)(=O)=O)sc2C)cc1
InChIInChI=1S/C21H22N2O4S2/c1-14-18(15-8-10-17(27-3)11-9-15)12-19(28-14)21(24)23(2)13-16-6-4-5-7-20(16)29(22,25)26/h4-12H,13H2,1-3H3,(H2,22,25,26)
InChIKeyDOBYJPCZVBJODV-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide

4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 167890274) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
PubChem CID167890274
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3S(N)(=O)=O)sc2C)cc1
InChIInChI=1S/C21H22N2O4S2/c1-14-18(15-8-10-17(27-3)11-9-15)12-19(28-14)21(24)23(2)13-16-6-4-5-7-20(16)29(22,25)26/h4-12H,13H2,1-3H3,(H2,22,25,26)
InChIKeyDOBYJPCZVBJODV-UHFFFAOYSA-N
XLogP3.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78798322
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 55392246
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31188365
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide (CID 167890274) is 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3S(N)(=O)=O)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is DOBYJPCZVBJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-14-18(15-8-10-17(27-3)11-9-15)12-19(28-14)21(24)23(2)13-16-6-4-5-7-20(16)29(22,25)26/h4-12H,13H2,1-3H3,(H2,22,25,26).
What are the key properties of 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 167890274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).