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

C12H17NOS — CID 962016

IUPACN-ethyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13-12(14)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyOMIXXJFCWJYTFP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.61
Rot. Bonds5

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

N-ethyl-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 962016) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID962016
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13-12(14)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyOMIXXJFCWJYTFP-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
CID 114618833
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
5-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid
CID 62032494
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 114751224
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155
(2S)-3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid
CID 61151903

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-ethyl-3-(4-methylphenyl)sulfanylpropanamide (CID 962016) is N-ethyl-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)sulfanylpropanamide is CCNC(=O)CCSc1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OMIXXJFCWJYTFP-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/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-(4-methylphenyl)sulfanylpropanamide?
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 962016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).