3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide

C23H26N2O3S2 — CID 55461142

IUPAC3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C23H26N2O3S2/c1-16(2)25-30(27,28)15-20-7-5-4-6-19(20)14-24-23(26)22-21(12-13-29-22)18-10-8-17(3)9-11-18/h4-13,16,25H,14-15H2,1-3H3,(H,24,26)
InChIKeyXMCLYRDLJRPIGH-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.48
Rot. Bonds8

About 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide

3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55461142) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55461142
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC Name3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C23H26N2O3S2/c1-16(2)25-30(27,28)15-20-7-5-4-6-19(20)14-24-23(26)22-21(12-13-29-22)18-10-8-17(3)9-11-18/h4-13,16,25H,14-15H2,1-3H3,(H,24,26)
InChIKeyXMCLYRDLJRPIGH-UHFFFAOYSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 17477546
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111893502
2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55870412
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 55461142) is 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is XMCLYRDLJRPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-16(2)25-30(27,28)15-20-7-5-4-6-19(20)14-24-23(26)22-21(12-13-29-22)18-10-8-17(3)9-11-18/h4-13,16,25H,14-15H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide?
3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55461142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).