N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide

C14H20N2O2S — CID 4790554

IUPACN-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide
SMILESCc1ccc(C)c(SC(C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2S/c1-8(2)12(13(17)16-14(15)18)19-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3,(H3,15,16,17,18)
InChIKeyDEXUKTHLZQUADU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.62
Rot. Bonds4

About N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide

N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide (PubChem CID 4790554) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide
PubChem CID4790554
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide
SMILESCc1ccc(C)c(SC(C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2S/c1-8(2)12(13(17)16-14(15)18)19-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3,(H3,15,16,17,18)
InChIKeyDEXUKTHLZQUADU-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
N-carbamoyl-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 17461474
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226
2-benzylsulfanyl-N-carbamoyl-3-methylbutanamide
CID 4790646
N-[(2,5-dimethylphenyl)sulfanylcarbamoyl]acetamide
CID 123947991
N-(3-methylbutylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591993
(2S)-N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2592001
(2R)-N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2592003

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide?
The IUPAC name of N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide (CID 4790554) is N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide.
What is the SMILES notation for N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide?
The canonical SMILES for N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide is Cc1ccc(C)c(SC(C(=O)NC(N)=O)C(C)C)c1.
What is the InChIKey of N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide?
The InChIKey is DEXUKTHLZQUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8(2)12(13(17)16-14(15)18)19-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3,(H3,15,16,17,18).
What are the key properties of N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide?
N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide is sourced from PubChem (CID 4790554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).