(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone

C16H17NOS — CID 82264961

IUPAC(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
SMILESCCSc1ccc(C)cc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H17NOS/c1-3-19-15-9-4-11(2)10-14(15)16(18)12-5-7-13(17)8-6-12/h4-10H,3,17H2,1-2H3
InChIKeyMFVHRYKTSKKLGT-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.92
Rot. Bonds4

About (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone

(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone (PubChem CID 82264961) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
PubChem CID82264961
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
SMILESCCSc1ccc(C)cc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H17NOS/c1-3-19-15-9-4-11(2)10-14(15)16(18)12-5-7-13(17)8-6-12/h4-10H,3,17H2,1-2H3
InChIKeyMFVHRYKTSKKLGT-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone (CID 82264961) is (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone is CCSc1ccc(C)cc1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone?
The InChIKey is MFVHRYKTSKKLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-19-15-9-4-11(2)10-14(15)16(18)12-5-7-13(17)8-6-12/h4-10H,3,17H2,1-2H3.
What are the key properties of (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone?
(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone has a molecular weight of 271.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone is sourced from PubChem (CID 82264961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).