N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide

C12H17NOS — CID 107027712

IUPACN-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
SMILESCCN(C(=O)CCS)c1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13(12(14)8-9-15)11-6-4-10(2)5-7-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyOBFUMAYPZDCLHR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide

N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide (PubChem CID 107027712) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
PubChem CID107027712
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
SMILESCCN(C(=O)CCS)c1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13(12(14)8-9-15)11-6-4-10(2)5-7-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyOBFUMAYPZDCLHR-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
N-ethyl-N-(4-methylphenyl)-2-propoxyacetamide
CID 113227387
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
ethyl-(4-methylphenyl)carbamodithioic acid
CID 154283267
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
CID 58662238
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
CID 115167807

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide (CID 107027712) is N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide is CCN(C(=O)CCS)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide?
The InChIKey is OBFUMAYPZDCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-13(12(14)8-9-15)11-6-4-10(2)5-7-11/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide?
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107027712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).