N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide

C22H26N2O3S — CID 11903236

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide
SMILESCc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C22H26N2O3S/c1-14-9-15(2)22(16(3)10-14)24-21(26)13-28(27)12-20(25)23-19-8-7-17-5-4-6-18(17)11-19/h7-11H,4-6,12-13H2,1-3H3,(H,23,25)(H,24,26)/t28-/m0/s1
InChIKeyLJGIWHKMWHGSAI-NDEPHWFRSA-N
MW398.53 g/mol
LogP3.43
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide (PubChem CID 11903236) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide
PubChem CID11903236
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide
SMILESCc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C22H26N2O3S/c1-14-9-15(2)22(16(3)10-14)24-21(26)13-28(27)12-20(25)23-19-8-7-17-5-4-6-18(17)11-19/h7-11H,4-6,12-13H2,1-3H3,(H,23,25)(H,24,26)/t28-/m0/s1
InChIKeyLJGIWHKMWHGSAI-NDEPHWFRSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435795
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706361
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide (CID 11903236) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide is Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide?
The InChIKey is LJGIWHKMWHGSAI-NDEPHWFRSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-14-9-15(2)22(16(3)10-14)24-21(26)13-28(27)12-20(25)23-19-8-7-17-5-4-6-18(17)11-19/h7-11H,4-6,12-13H2,1-3H3,(H,23,25)(H,24,26)/t28-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]acetamide is sourced from PubChem (CID 11903236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).