N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

C13H19NO2S — CID 112695322

IUPACN-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCCc1cccc(NC(=O)CSC(C)CO)c1
InChIInChI=1S/C13H19NO2S/c1-3-11-5-4-6-12(7-11)14-13(16)9-17-10(2)8-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyVMVUUHVTSZQRTO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.30
Rot. Bonds6

About N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (PubChem CID 112695322) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
PubChem CID112695322
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCCc1cccc(NC(=O)CSC(C)CO)c1
InChIInChI=1S/C13H19NO2S/c1-3-11-5-4-6-12(7-11)14-13(16)9-17-10(2)8-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyVMVUUHVTSZQRTO-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695469
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495
(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
N-(3-ethylphenyl)decanamide
CID 4053743
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (CID 112695322) is N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is CCc1cccc(NC(=O)CSC(C)CO)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The InChIKey is VMVUUHVTSZQRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-11-5-4-6-12(7-11)14-13(16)9-17-10(2)8-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 112695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).