3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide

C12H18N2OS — CID 79148198

IUPAC3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2OS/c1-3-14-12(15)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyBZAAWSUTGOBSLF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.20
Rot. Bonds5

About 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide

3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide (PubChem CID 79148198) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
PubChem CID79148198
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2OS/c1-3-14-12(15)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyBZAAWSUTGOBSLF-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
ethyl 4-[[2-(4-amino-3-methylphenyl)sulfanylacetyl]amino]butanoate
CID 79126751
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
2-methyl-4-[2-(methylamino)ethylsulfanyl]aniline
CID 79148202
3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751614

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide (CID 79148198) is 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)CCSc1ccc(N)c(C)c1.
What is the InChIKey of 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is BZAAWSUTGOBSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-14-12(15)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide?
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 238.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 79148198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).