(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride

C20H21ClN2OS — CID 69484677

IUPAC(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1csc2ccccc12)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C20H20N2OS.ClH/c21-18(11-15-12-24-19-8-4-3-7-17(15)19)20(23)22-16-9-13-5-1-2-6-14(13)10-16;/h1-8,12,16,18H,9-11,21H2,(H,22,23);1H/t18-;/m0./s1
InChIKeyZZWVVKLLXBSZFW-FERBBOLQSA-N
MW372.92 g/mol
LogP3.48
Rot. Bonds4

About (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride

(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride (PubChem CID 69484677) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride
PubChem CID69484677
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1csc2ccccc12)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C20H20N2OS.ClH/c21-18(11-15-12-24-19-8-4-3-7-17(15)19)20(23)22-16-9-13-5-1-2-6-14(13)10-16;/h1-8,12,16,18H,9-11,21H2,(H,22,23);1H/t18-;/m0./s1
InChIKeyZZWVVKLLXBSZFW-FERBBOLQSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride 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

2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
ethyl (3R)-3-[[(2S)-3-(1-benzothiophen-3-yl)-1-(2,3-dihydro-1H-inden-2-ylamino)-1-oxopropan-2-yl]carbamoyl]heptanoate
CID 86614716
(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-4-methylpentanamide
CID 140518639
2-[1-[[[(2R)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292811
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 69486492
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246
(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 140518634
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride (CID 69484677) is (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride is Cl.N[C@@H](Cc1csc2ccccc12)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride?
The InChIKey is ZZWVVKLLXBSZFW-FERBBOLQSA-N. The full InChI is InChI=1S/C20H20N2OS.ClH/c21-18(11-15-12-24-19-8-4-3-7-17(15)19)20(23)22-16-9-13-5-1-2-6-14(13)10-16;/h1-8,12,16,18H,9-11,21H2,(H,22,23);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride?
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 69484677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).