N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide

C18H21NOS — CID 23861664

IUPACN-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-7-9-16(10-8-13)21-12-11-17(20)19-18-14(2)5-4-6-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyIBWSZORNBFYYRN-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.73
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 23861664) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID23861664
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-7-9-16(10-8-13)21-12-11-17(20)19-18-14(2)5-4-6-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyIBWSZORNBFYYRN-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191782
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254619
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855932
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 23861664) is N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is IBWSZORNBFYYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-7-9-16(10-8-13)21-12-11-17(20)19-18-14(2)5-4-6-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 23861664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).