N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide

C28H29ClN2O2S — CID 145232176

IUPACN-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C28H29ClN2O2S/c1-5-34-23-12-9-19(10-13-23)15-26(32)30-22-11-14-25-24(17-22)28(3,4)27(33)31(25)18(2)20-7-6-8-21(29)16-20/h6-14,16-18H,5,15H2,1-4H3,(H,30,32)
InChIKeyHIHRQHQODDYNSY-UHFFFAOYSA-N
MW493.07 g/mol
LogP7.02
Rot. Bonds7

About N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide

N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 145232176) has the molecular formula C28H29ClN2O2S and a molecular weight of 493.07 g/mol. Its IUPAC name is N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID145232176
Molecular FormulaC28H29ClN2O2S
Molecular Weight493.07 g/mol
Exact Mass492.16
IUPAC NameN-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C28H29ClN2O2S/c1-5-34-23-12-9-19(10-13-23)15-26(32)30-22-11-14-25-24(17-22)28(3,4)27(33)31(25)18(2)20-7-6-8-21(29)16-20/h6-14,16-18H,5,15H2,1-4H3,(H,30,32)
InChIKeyHIHRQHQODDYNSY-UHFFFAOYSA-N
XLogP7.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.07
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide with MolForge

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Related Compounds

N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
2-(3-fluorophenyl)-N-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110713676
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
1-tert-butyl-3-[1-[1-(3-chlorophenyl)ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 170748090
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide (CID 145232176) is N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is HIHRQHQODDYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O2S/c1-5-34-23-12-9-19(10-13-23)15-26(32)30-22-11-14-25-24(17-22)28(3,4)27(33)31(25)18(2)20-7-6-8-21(29)16-20/h6-14,16-18H,5,15H2,1-4H3,(H,30,32).
What are the key properties of N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 493.07 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 145232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).