N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C15H22N2O2S — CID 8787700

IUPACN-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-4-5-8-16-15(19)17-14(18)10-20-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyXZPJOUYQDTZXMZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.02
Rot. Bonds6

About N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 8787700) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID8787700
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-4-5-8-16-15(19)17-14(18)10-20-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyXZPJOUYQDTZXMZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
ethyl 4-(3,4-dimethylphenyl)sulfanyl-3-oxobutanoate
CID 60644018
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 4823535
(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
CID 8844305
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486784
N-(butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46617676
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 8787700) is N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1ccc(C)c(C)c1.
What is the InChIKey of N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is XZPJOUYQDTZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-5-8-16-15(19)17-14(18)10-20-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 294.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 8787700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).