2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide

C17H17NOS — CID 15268776

IUPAC2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
SMILESC=CCc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C17H17NOS/c1-2-8-14-9-6-7-12-16(14)18-17(19)13-20-15-10-4-3-5-11-15/h2-7,9-12H,1,8,13H2,(H,18,19)
InChIKeyKYNDMDMPINDXSJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds6

About 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide

2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide (PubChem CID 15268776) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
PubChem CID15268776
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
SMILESC=CCc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C17H17NOS/c1-2-8-14-9-6-7-12-16(14)18-17(19)13-20-15-10-4-3-5-11-15/h2-7,9-12H,1,8,13H2,(H,18,19)
InChIKeyKYNDMDMPINDXSJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
CID 114258787
2-phenylsulfanylacetohydrazide
CID 7037418
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide (CID 15268776) is 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide is C=CCc1ccccc1NC(=O)CSc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The InChIKey is KYNDMDMPINDXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-8-14-9-6-7-12-16(14)18-17(19)13-20-15-10-4-3-5-11-15/h2-7,9-12H,1,8,13H2,(H,18,19).
What are the key properties of 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 15268776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).