N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide

C18H21NOS — CID 177471445

IUPACN-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21NOS/c1-13-7-9-17(10-8-13)21-12-18(19-15(3)20)16-6-4-5-14(2)11-16/h4-11,18H,12H2,1-3H3,(H,19,20)
InChIKeyKDEYFWLHLXTTRK-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.27
Rot. Bonds5

About N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide

N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 177471445) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID177471445
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21NOS/c1-13-7-9-17(10-8-13)21-12-18(19-15(3)20)16-6-4-5-14(2)11-16/h4-11,18H,12H2,1-3H3,(H,19,20)
InChIKeyKDEYFWLHLXTTRK-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]acetamide
CID 134954394
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
CID 141414605
1-[(E)-2,4-bis(3-methylphenyl)but-3-enyl]sulfanyl-4-methylbenzene
CID 132607560
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide
CID 130474115
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide (CID 177471445) is N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide is CC(=O)NC(CSc1ccc(C)cc1)c1cccc(C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is KDEYFWLHLXTTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-7-9-17(10-8-13)21-12-18(19-15(3)20)16-6-4-5-14(2)11-16/h4-11,18H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide?
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 177471445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).