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

C14H20N2O2S — CID 2616407

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2S/c1-4-7-15-14(18)16-13(17)9-19-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPXQTXCAPGSLHHV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds5

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

2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 2616407) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID2616407
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2S/c1-4-7-15-14(18)16-13(17)9-19-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPXQTXCAPGSLHHV-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
N-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1815783
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2088404

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 2616407) is 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is PXQTXCAPGSLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-7-15-14(18)16-13(17)9-19-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.63, 5 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-(propylcarbamoyl)acetamide is sourced from PubChem (CID 2616407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).