N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide

C20H14ClN3O4S — CID 137140854

IUPACN-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1Cl
InChIInChI=1S/C20H14ClN3O4S/c1-10-6-7-11(8-13(10)21)22-15(25)9-24-19(27)17(29-20(24)28)16-12-4-2-3-5-14(12)23-18(16)26/h2-8,27H,9H2,1H3,(H,22,25)
InChIKeyNRUXCXMGHOPDBY-UHFFFAOYSA-N
MW427.87 g/mol
LogP1.57
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide (PubChem CID 137140854) has the molecular formula C20H14ClN3O4S and a molecular weight of 427.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
PubChem CID137140854
Molecular FormulaC20H14ClN3O4S
Molecular Weight427.87 g/mol
Exact Mass427.04
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1Cl
InChIInChI=1S/C20H14ClN3O4S/c1-10-6-7-11(8-13(10)21)22-15(25)9-24-19(27)17(29-20(24)28)16-12-4-2-3-5-14(12)23-18(16)26/h2-8,27H,9H2,1H3,(H,22,25)
InChIKeyNRUXCXMGHOPDBY-UHFFFAOYSA-N
XLogP1.57
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 135575309
methyl 3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135597773
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 2666329
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829379
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 42585737
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide (CID 137140854) is N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide is Cc1ccc(NC(=O)Cn2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide?
The InChIKey is NRUXCXMGHOPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4S/c1-10-6-7-11(8-13(10)21)22-15(25)9-24-19(27)17(29-20(24)28)16-12-4-2-3-5-14(12)23-18(16)26/h2-8,27H,9H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide has a molecular weight of 427.87 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 137140854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).