N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide

C20H20N2O4S2 — CID 3523153

IUPACN-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3sccc3C)c2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-13-4-9-17(12-18(13)21-20(23)19-14(2)10-11-27-19)28(24,25)22-15-5-7-16(26-3)8-6-15/h4-12,22H,1-3H3,(H,21,23)
InChIKeyXARPDIJZWHTMGX-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.43
Rot. Bonds6

About N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide

N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 3523153) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID3523153
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3sccc3C)c2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-13-4-9-17(12-18(13)21-20(23)19-14(2)10-11-27-19)28(24,25)22-15-5-7-16(26-3)8-6-15/h4-12,22H,1-3H3,(H,21,23)
InChIKeyXARPDIJZWHTMGX-UHFFFAOYSA-N
XLogP4.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3358503
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-4-methylpentanamide
CID 98396669
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide (CID 3523153) is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3sccc3C)c2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is XARPDIJZWHTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-13-4-9-17(12-18(13)21-20(23)19-14(2)10-11-27-19)28(24,25)22-15-5-7-16(26-3)8-6-15/h4-12,22H,1-3H3,(H,21,23).
What are the key properties of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 3523153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).