2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide

C18H21NOS — CID 43905510

IUPAC2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CSc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-17(15-7-5-4-6-8-15)19-18(20)13-21-16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeySXYQTDOAKYGDQL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide (PubChem CID 43905510) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
PubChem CID43905510
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CSc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-17(15-7-5-4-6-8-15)19-18(20)13-21-16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeySXYQTDOAKYGDQL-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
CID 132761737
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 18290915
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240777

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide (CID 43905510) is 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CSc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide?
The InChIKey is SXYQTDOAKYGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-17(15-7-5-4-6-8-15)19-18(20)13-21-16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43905510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).