2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide

C17H20N2OS — CID 79129764

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cccc(C)c2N)cc1
InChIInChI=1S/C17H20N2OS/c1-12-6-8-14(9-7-12)10-19-16(20)11-21-15-5-3-4-13(2)17(15)18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyJWPPBMLAWRXAJD-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.29
Rot. Bonds5

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

2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 79129764) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID79129764
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cccc(C)c2N)cc1
InChIInChI=1S/C17H20N2OS/c1-12-6-8-14(9-7-12)10-19-16(20)11-21-15-5-3-4-13(2)17(15)18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyJWPPBMLAWRXAJD-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.29
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-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 79147488
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(2-methylphenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46464831
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 79129764) is 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2cccc(C)c2N)cc1.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JWPPBMLAWRXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-6-8-14(9-7-12)10-19-16(20)11-21-15-5-3-4-13(2)17(15)18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 79129764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).