(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide

C15H22N2O2S — CID 8844305

IUPAC(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyYYJBEUSEINUCDO-LBPRGKRZSA-N
MW294.42 g/mol
LogP2.04
Rot. Bonds6

About (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide (PubChem CID 8844305) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
PubChem CID8844305
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyYYJBEUSEINUCDO-LBPRGKRZSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
CID 8733653
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 8977397
(2S)-N-ethyl-2-[[2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]propanamide
CID 9483630
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271687
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide (CID 8844305) is (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)CSc1ccc(C)c(C)c1.
What is the InChIKey of (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide?
The InChIKey is YYJBEUSEINUCDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).