2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide

C16H18N2OS — CID 79147675

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)18-16(19)10-20-14-7-8-15(17)12(2)9-14/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyRFNBNRVTTIPZGT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 79147675) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID79147675
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)18-16(19)10-20-14-7-8-15(17)12(2)9-14/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyRFNBNRVTTIPZGT-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.62
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

2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide (CID 79147675) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(N)c(C)c2)cc1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is RFNBNRVTTIPZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-5-13(6-4-11)18-16(19)10-20-14-7-8-15(17)12(2)9-14/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 79147675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).