2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide

C25H25NO2S — CID 16572356

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-2-28-23-14-7-6-13-22(23)26-25(27)24(19-9-4-3-5-10-19)29-21-16-15-18-11-8-12-20(18)17-21/h3-7,9-10,13-17,24H,2,8,11-12H2,1H3,(H,26,27)
InChIKeyJWJWUYYKHZSKDS-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.05
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 16572356) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID16572356
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-2-28-23-14-7-6-13-22(23)26-25(27)24(19-9-4-3-5-10-19)29-21-16-15-18-11-8-12-20(18)17-21/h3-7,9-10,13-17,24H,2,8,11-12H2,1H3,(H,26,27)
InChIKeyJWJWUYYKHZSKDS-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 23101245
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564
2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 19059621
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
CID 8996406
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21168074
2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902348

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 16572356) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Sc1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is JWJWUYYKHZSKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-2-28-23-14-7-6-13-22(23)26-25(27)24(19-9-4-3-5-10-19)29-21-16-15-18-11-8-12-20(18)17-21/h3-7,9-10,13-17,24H,2,8,11-12H2,1H3,(H,26,27).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 403.55 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 16572356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).