2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide

C19H15NO4S — CID 3560152

IUPAC2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1
InChIInChI=1S/C19H15NO4S/c21-16(11-25-12-18(22)20-14-7-2-1-3-8-14)15-10-13-6-4-5-9-17(13)24-19(15)23/h1-10H,11-12H2,(H,20,22)
InChIKeyQMSABODFUAXRGU-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide

2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide (PubChem CID 3560152) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide
PubChem CID3560152
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1
InChIInChI=1S/C19H15NO4S/c21-16(11-25-12-18(22)20-14-7-2-1-3-8-14)15-10-13-6-4-5-9-17(13)24-19(15)23/h1-10H,11-12H2,(H,20,22)
InChIKeyQMSABODFUAXRGU-UHFFFAOYSA-N
XLogP3.35
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminophenyl)sulfanylacetyl]chromen-2-one
CID 8553851
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
2-oxochromene-3-carboxylic acid
CID 161011590
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
[2-(4-bromoanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3978128
3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]chromen-2-one
CID 3929242
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]chromen-2-one
CID 9457523
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9368153

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide (CID 3560152) is 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is QMSABODFUAXRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-16(11-25-12-18(22)20-14-7-2-1-3-8-14)15-10-13-6-4-5-9-17(13)24-19(15)23/h1-10H,11-12H2,(H,20,22).
What are the key properties of 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide?
2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 353.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 3560152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).