N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide

C16H17NOS — CID 964960

IUPACN-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccccc2)c1C
InChIInChI=1S/C16H17NOS/c1-12-7-6-10-15(13(12)2)17-16(18)11-19-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyBCXYKJCRYABHTL-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.03
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide

N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide (PubChem CID 964960) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide
PubChem CID964960
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccccc2)c1C
InChIInChI=1S/C16H17NOS/c1-12-7-6-10-15(13(12)2)17-16(18)11-19-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyBCXYKJCRYABHTL-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide (CID 964960) is N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide is Cc1cccc(NC(=O)CSc2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is BCXYKJCRYABHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-7-6-10-15(13(12)2)17-16(18)11-19-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide?
N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 271.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 964960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).