2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide

C17H11Cl2NO3S — CID 3864431

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H11Cl2NO3S/c18-11-2-4-13(19)15(8-11)24-9-16(21)20-12-3-5-14-10(7-12)1-6-17(22)23-14/h1-8H,9H2,(H,20,21)
InChIKeyADUCOTWHPYADKB-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.83
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide (PubChem CID 3864431) has the molecular formula C17H11Cl2NO3S and a molecular weight of 380.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
PubChem CID3864431
Molecular FormulaC17H11Cl2NO3S
Molecular Weight380.25 g/mol
Exact Mass378.98
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H11Cl2NO3S/c18-11-2-4-13(19)15(8-11)24-9-16(21)20-12-3-5-14-10(7-12)1-6-17(22)23-14/h1-8H,9H2,(H,20,21)
InChIKeyADUCOTWHPYADKB-UHFFFAOYSA-N
XLogP4.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 4282626
N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 55979578
6-chlorochromen-2-one
CID 16321
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 36569963
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 3913044
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 3668874

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide (CID 3864431) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is ADUCOTWHPYADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3S/c18-11-2-4-13(19)15(8-11)24-9-16(21)20-12-3-5-14-10(7-12)1-6-17(22)23-14/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 380.25 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 3864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).