N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

C22H24N2O3S2 — CID 30849021

IUPACN-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-4-16-6-10-18(11-7-16)23-22(25)21-20(14-15-28-21)29(26,27)24(3)19-12-8-17(5-2)9-13-19/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyHFAYXCATFUHPCC-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.95
Rot. Bonds7

About N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide

N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 30849021) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID30849021
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-4-16-6-10-18(11-7-16)23-22(25)21-20(14-15-28-21)29(26,27)24(3)19-12-8-17(5-2)9-13-19/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyHFAYXCATFUHPCC-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 30849021) is N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is HFAYXCATFUHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-4-16-6-10-18(11-7-16)23-22(25)21-20(14-15-28-21)29(26,27)24(3)19-12-8-17(5-2)9-13-19/h6-15H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide?
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 30849021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).