N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

C14H16N2O3S2 — CID 162436549

IUPACN-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)s1
InChIInChI=1S/C14H16N2O3S2/c1-10-3-5-11(6-4-10)9-16-14(17)12-7-8-13(20-12)21(18,19)15-2/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyCSERMIQRKFNVEF-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.89
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 162436549) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID162436549
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)s1
InChIInChI=1S/C14H16N2O3S2/c1-10-3-5-11(6-4-10)9-16-14(17)12-7-8-13(20-12)21(18,19)15-2/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyCSERMIQRKFNVEF-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 170018029
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436639
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 20958443
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 62502316
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55656221

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (CID 162436549) is N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)s1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is CSERMIQRKFNVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-3-5-11(6-4-10)9-16-14(17)12-7-8-13(20-12)21(18,19)15-2/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 162436549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).