N-ethyl-3-(2-methylsulfanylanilino)propanamide

C12H18N2OS — CID 107644721

IUPACN-ethyl-3-(2-methylsulfanylanilino)propanamide
SMILESCCNC(=O)CCNc1ccccc1SC
InChIInChI=1S/C12H18N2OS/c1-3-13-12(15)8-9-14-10-6-4-5-7-11(10)16-2/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyUZQPFEYSXCJGLV-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-3-(2-methylsulfanylanilino)propanamide

N-ethyl-3-(2-methylsulfanylanilino)propanamide (PubChem CID 107644721) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-ethyl-3-(2-methylsulfanylanilino)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylsulfanylanilino)propanamide
PubChem CID107644721
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-ethyl-3-(2-methylsulfanylanilino)propanamide
SMILESCCNC(=O)CCNc1ccccc1SC
InChIInChI=1S/C12H18N2OS/c1-3-13-12(15)8-9-14-10-6-4-5-7-11(10)16-2/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyUZQPFEYSXCJGLV-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylsulfanylphenyl)ethane-1,2-diamine;oxalic acid
CID 71367834
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N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline
CID 104667745
N-heptyl-2-methylsulfanylaniline
CID 43683418
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
CID 115564289
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylsulfanylanilino)propanamide?
The IUPAC name of N-ethyl-3-(2-methylsulfanylanilino)propanamide (CID 107644721) is N-ethyl-3-(2-methylsulfanylanilino)propanamide.
What is the SMILES notation for N-ethyl-3-(2-methylsulfanylanilino)propanamide?
The canonical SMILES for N-ethyl-3-(2-methylsulfanylanilino)propanamide is CCNC(=O)CCNc1ccccc1SC.
What is the InChIKey of N-ethyl-3-(2-methylsulfanylanilino)propanamide?
The InChIKey is UZQPFEYSXCJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-13-12(15)8-9-14-10-6-4-5-7-11(10)16-2/h4-7,14H,3,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-3-(2-methylsulfanylanilino)propanamide?
N-ethyl-3-(2-methylsulfanylanilino)propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylsulfanylanilino)propanamide is sourced from PubChem (CID 107644721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).