N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide

C14H16N2O3S2 — CID 39792806

IUPACN-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C14H16N2O3S2/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyXDSSNRKJWMHFDY-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.49
Rot. Bonds5

About N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide

N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 39792806) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID39792806
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C14H16N2O3S2/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyXDSSNRKJWMHFDY-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
3-[(5-acetamido-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165436
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
CID 65034115
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide (CID 39792806) is N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is XDSSNRKJWMHFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 39792806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).