N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

C22H18N2O4S — CID 7915185

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2s1
InChIInChI=1S/C22H18N2O4S/c1-12-23-18-8-5-13(9-20(18)29-12)24-21(25)11-27-14-6-7-16-15-3-2-4-17(15)22(26)28-19(16)10-14/h5-10H,2-4,11H2,1H3,(H,24,25)
InChIKeyNYUSNIVZUCZOCS-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.22
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (PubChem CID 7915185) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
PubChem CID7915185
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2s1
InChIInChI=1S/C22H18N2O4S/c1-12-23-18-8-5-13(9-20(18)29-12)24-21(25)11-27-14-6-7-16-15-3-2-4-17(15)22(26)28-19(16)10-14/h5-10H,2-4,11H2,1H3,(H,24,25)
InChIKeyNYUSNIVZUCZOCS-UHFFFAOYSA-N
XLogP4.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.22
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

N-(4-chlorophenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7740212
N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 2525314
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 19204661
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 19204660
N-(5-fluoro-2-methylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7774634
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 48671829
methyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055069
7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 777549

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (CID 7915185) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is Cc1nc2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The InChIKey is NYUSNIVZUCZOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-12-23-18-8-5-13(9-20(18)29-12)24-21(25)11-27-14-6-7-16-15-3-2-4-17(15)22(26)28-19(16)10-14/h5-10H,2-4,11H2,1H3,(H,24,25).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide has a molecular weight of 406.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 7915185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).