2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

C12H16N2O2S — CID 2616367

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C12H16N2O2S/c1-8-4-5-10(9(2)6-8)17-7-11(15)14-12(16)13-3/h4-6H,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMUUKDTYETNUNJB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.85
Rot. Bonds3

About 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 2616367) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID2616367
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C12H16N2O2S/c1-8-4-5-10(9(2)6-8)17-7-11(15)14-12(16)13-3/h4-6H,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMUUKDTYETNUNJB-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352783
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026679
(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675662
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
4-[[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541962
N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 29298839
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 2616367) is 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is MUUKDTYETNUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-4-5-10(9(2)6-8)17-7-11(15)14-12(16)13-3/h4-6H,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 252.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2616367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).