N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide

C12H17NOS — CID 107037283

IUPACN-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
SMILESCCc1ccc(CNC(=O)C(C)S)cc1
InChIInChI=1S/C12H17NOS/c1-3-10-4-6-11(7-5-10)8-13-12(14)9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyGPANQTKOPWFUDW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.18
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide

N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide (PubChem CID 107037283) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
PubChem CID107037283
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
SMILESCCc1ccc(CNC(=O)C(C)S)cc1
InChIInChI=1S/C12H17NOS/c1-3-10-4-6-11(7-5-10)8-13-12(14)9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyGPANQTKOPWFUDW-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
(2S)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 103995681
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
(2S)-N-benzyl-2-cyano-3-(4-ethylphenyl)-3-oxopropanamide
CID 96570961
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide (CID 107037283) is N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide is CCc1ccc(CNC(=O)C(C)S)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide?
The InChIKey is GPANQTKOPWFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-10-4-6-11(7-5-10)8-13-12(14)9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide?
N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107037283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).