2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide

C17H19NO2S — CID 32577082

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
SMILESCc1ccc(C)c(SCC(=O)NOCc2ccccc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-8-9-14(2)16(10-13)21-12-17(19)18-20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyJECQRPBVMWLDHQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.64
Rot. Bonds6

About 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide

2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide (PubChem CID 32577082) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
PubChem CID32577082
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
SMILESCc1ccc(C)c(SCC(=O)NOCc2ccccc2)c1
InChIInChI=1S/C17H19NO2S/c1-13-8-9-14(2)16(10-13)21-12-17(19)18-20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyJECQRPBVMWLDHQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
N-phenylmethoxy-2-phenylsulfanylacetamide
CID 47095881
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 7488695
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-phenylmethoxyacetamide
CID 51139881
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43405647
2-amino-2-(4-methylphenyl)-N-phenylmethoxyacetamide
CID 106151599
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide (CID 32577082) is 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide is Cc1ccc(C)c(SCC(=O)NOCc2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide?
The InChIKey is JECQRPBVMWLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-8-9-14(2)16(10-13)21-12-17(19)18-20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 32577082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).