2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide

C16H18N2OS — CID 79141243

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(N)ccc2C)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-7-14(8-4-11)18-16(19)10-20-15-9-13(17)6-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySRZXEOBDGVEJPS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.62
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide

2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 79141243) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID79141243
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(N)ccc2C)cc1
InChIInChI=1S/C16H18N2OS/c1-11-3-7-14(8-4-11)18-16(19)10-20-15-9-13(17)6-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySRZXEOBDGVEJPS-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-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
2-(5-amino-2-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79141432
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32796362
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4201897

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide (CID 79141243) is 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cc(N)ccc2C)cc1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is SRZXEOBDGVEJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-7-14(8-4-11)18-16(19)10-20-15-9-13(17)6-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(5-amino-2-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-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 79141243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).