N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide

C18H15NO3S — CID 26211855

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CSc3ccccc3)ccc12
InChIInChI=1S/C18H15NO3S/c1-12-9-18(21)22-16-10-13(7-8-15(12)16)19-17(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFVDYHJCRYLVKMK-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.83
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide

N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide (PubChem CID 26211855) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide
PubChem CID26211855
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CSc3ccccc3)ccc12
InChIInChI=1S/C18H15NO3S/c1-12-9-18(21)22-16-10-13(7-8-15(12)16)19-17(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFVDYHJCRYLVKMK-UHFFFAOYSA-N
XLogP3.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide (CID 26211855) is N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide is Cc1cc(=O)oc2cc(NC(=O)CSc3ccccc3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide?
The InChIKey is FVDYHJCRYLVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-12-9-18(21)22-16-10-13(7-8-15(12)16)19-17(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 26211855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).