N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide

C20H20N2O3S2 — CID 17477546

IUPACN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H20N2O3S2/c1-21-27(24,25)14-17-10-6-5-9-16(17)13-22-20(23)19-18(11-12-26-19)15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyWKUDSAJIAZTDRX-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.39
Rot. Bonds7

About N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide

N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 17477546) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
PubChem CID17477546
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H20N2O3S2/c1-21-27(24,25)14-17-10-6-5-9-16(17)13-22-20(23)19-18(11-12-26-19)15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyWKUDSAJIAZTDRX-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55461142
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 31942147
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-phenylphenoxy)acetamide
CID 24560451
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 60514084

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide (CID 17477546) is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is WKUDSAJIAZTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-21-27(24,25)14-17-10-6-5-9-16(17)13-22-20(23)19-18(11-12-26-19)15-7-3-2-4-8-15/h2-12,21H,13-14H2,1H3,(H,22,23).
What are the key properties of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 17477546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).