N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide

C17H17NO2S — CID 18115528

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCSc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-17(12-20-13-6-2-1-3-7-13)18-15-10-11-21-16-9-5-4-8-14(15)16/h1-9,15H,10-12H2,(H,18,19)
InChIKeyUWOSCOOCRFVUMT-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.42
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide (PubChem CID 18115528) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide
PubChem CID18115528
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCSc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-17(12-20-13-6-2-1-3-7-13)18-15-10-11-21-16-9-5-4-8-14(15)16/h1-9,15H,10-12H2,(H,18,19)
InChIKeyUWOSCOOCRFVUMT-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide (CID 18115528) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide?
The InChIKey is UWOSCOOCRFVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(12-20-13-6-2-1-3-7-13)18-15-10-11-21-16-9-5-4-8-14(15)16/h1-9,15H,10-12H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide has a molecular weight of 299.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 18115528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).