N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H16N2O3S2 — CID 4117119

IUPACN-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H16N2O3S2/c1-11-6-3-4-7-12(11)15-13(17)10-16(2)21(18,19)14-8-5-9-20-14/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyCMCKKJTUWFPJCI-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4117119) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4117119
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H16N2O3S2/c1-11-6-3-4-7-12(11)15-13(17)10-16(2)21(18,19)14-8-5-9-20-14/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyCMCKKJTUWFPJCI-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 27808046
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17431538
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4117119) is N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is CMCKKJTUWFPJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-11-6-3-4-7-12(11)15-13(17)10-16(2)21(18,19)14-8-5-9-20-14/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).