N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

C20H16N2O4S — CID 4870875

IUPACN-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccccc3s2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H16N2O4S/c1-11-7-14(19-12(2)9-18(24)26-15(19)8-11)25-10-17(23)22-20-21-13-5-3-4-6-16(13)27-20/h3-9H,10H2,1-2H3,(H,21,22,23)
InChIKeyIXPCLEFVWRXKMC-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.04
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4870875) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4870875
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccccc3s2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H16N2O4S/c1-11-7-14(19-12(2)9-18(24)26-15(19)8-11)25-10-17(23)22-20-21-13-5-3-4-6-16(13)27-20/h3-9H,10H2,1-2H3,(H,21,22,23)
InChIKeyIXPCLEFVWRXKMC-UHFFFAOYSA-N
XLogP4.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 1253918
N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4972127
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2430791
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 19214352
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503924
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 53268787
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (CID 4870875) is N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is IXPCLEFVWRXKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-11-7-14(19-12(2)9-18(24)26-15(19)8-11)25-10-17(23)22-20-21-13-5-3-4-6-16(13)27-20/h3-9H,10H2,1-2H3,(H,21,22,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 380.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4870875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).