4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide

C19H20N2O2S — CID 8800471

IUPAC4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12(24-17-10-7-13-3-2-4-15(13)11-17)19(23)21-16-8-5-14(6-9-16)18(20)22/h5-12H,2-4H2,1H3,(H2,20,22)(H,21,23)/t12-/m1/s1
InChIKeyHTOOIHOQPYNWIU-GFCCVEGCSA-N
MW340.45 g/mol
LogP3.39
Rot. Bonds5

About 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide

4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide (PubChem CID 8800471) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
PubChem CID8800471
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-12(24-17-10-7-13-3-2-4-15(13)11-17)19(23)21-16-8-5-14(6-9-16)18(20)22/h5-12H,2-4H2,1H3,(H2,20,22)(H,21,23)/t12-/m1/s1
InChIKeyHTOOIHOQPYNWIU-GFCCVEGCSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 42918559
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
CID 8996406
4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
CID 23743394
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide (CID 8800471) is 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide is C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide?
The InChIKey is HTOOIHOQPYNWIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(24-17-10-7-13-3-2-4-15(13)11-17)19(23)21-16-8-5-14(6-9-16)18(20)22/h5-12H,2-4H2,1H3,(H2,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide?
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide is sourced from PubChem (CID 8800471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).