N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

C13H18N2O2S — CID 17461474

IUPACN-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCc1cc(C)c(SC(C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C13H18N2O2S/c1-7-5-8(2)11(9(3)6-7)18-10(4)12(16)15-13(14)17/h5-6,10H,1-4H3,(H3,14,15,16,17)
InChIKeyPGINQJUXWWFCMM-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.29
Rot. Bonds3

About N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (PubChem CID 17461474) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
PubChem CID17461474
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCc1cc(C)c(SC(C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C13H18N2O2S/c1-7-5-8(2)11(9(3)6-7)18-10(4)12(16)15-13(14)17/h5-6,10H,1-4H3,(H3,14,15,16,17)
InChIKeyPGINQJUXWWFCMM-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226
N-carbamoyl-3-(4-cyanophenyl)sulfanylpropanamide
CID 53603572
3-[(2,4,6-Trimethylphenyl)sulfanylmethyl]piperidine-2,6-dione
CID 172460423
N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide
CID 4790554
2-benzylsulfanyl-N-carbamoyl-3-methylbutanamide
CID 4790646
N-carbamoyl-3-(4-methylphenyl)sulfonylpropanamide
CID 45825989
N-[(2,6-dimethylphenyl)sulfanylcarbamoyl]acetamide
CID 123582204

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (CID 17461474) is N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is Cc1cc(C)c(SC(C)C(=O)NC(N)=O)c(C)c1.
What is the InChIKey of N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The InChIKey is PGINQJUXWWFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-7-5-8(2)11(9(3)6-7)18-10(4)12(16)15-13(14)17/h5-6,10H,1-4H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 17461474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).