4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide

C22H18ClN3O5S — CID 24597383

IUPAC4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H18ClN3O5S/c1-29-17-9-12(8-14(23)20(17)30-11-19(24)27)21(28)25-10-13-6-7-16(31-13)22-26-15-4-2-3-5-18(15)32-22/h2-9H,10-11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyJMNLHEMQSNICTR-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.01
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide (PubChem CID 24597383) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide
PubChem CID24597383
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H18ClN3O5S/c1-29-17-9-12(8-14(23)20(17)30-11-19(24)27)21(28)25-10-13-6-7-16(31-13)22-26-15-4-2-3-5-18(15)32-22/h2-9H,10-11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyJMNLHEMQSNICTR-UHFFFAOYSA-N
XLogP4.01
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
CID 55490227
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55489899
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 26181544
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 24610482
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46455718
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18274142

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide (CID 24597383) is 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide is COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide?
The InChIKey is JMNLHEMQSNICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-29-17-9-12(8-14(23)20(17)30-11-19(24)27)21(28)25-10-13-6-7-16(31-13)22-26-15-4-2-3-5-18(15)32-22/h2-9H,10-11H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide has a molecular weight of 471.92 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 24597383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).