N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C32H31FN2OS — CID 10152465

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1ccccc1C1c2ccsc2CCN1CC(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1
InChIInChI=1S/C32H31FN2OS/c1-22-8-2-6-12-27(22)32-28-15-17-37-30(28)14-16-34(32)21-31(36)35(20-25-11-5-7-13-29(25)33)26-18-23-9-3-4-10-24(23)19-26/h2-13,15,17,26,32H,14,16,18-21H2,1H3
InChIKeyVRALNYPXFSABQX-UHFFFAOYSA-N
MW510.68 g/mol
LogP6.34
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 10152465) has the molecular formula C32H31FN2OS and a molecular weight of 510.68 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID10152465
Molecular FormulaC32H31FN2OS
Molecular Weight510.68 g/mol
Exact Mass510.21
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1ccccc1C1c2ccsc2CCN1CC(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1
InChIInChI=1S/C32H31FN2OS/c1-22-8-2-6-12-27(22)32-28-15-17-37-30(28)14-16-34(32)21-31(36)35(20-25-11-5-7-13-29(25)33)26-18-23-9-3-4-10-24(23)19-26/h2-13,15,17,26,32H,14,16,18-21H2,1H3
InChIKeyVRALNYPXFSABQX-UHFFFAOYSA-N
XLogP6.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 10311043
N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 10175284
1-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46078200
2-methyl-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 808511
2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 93003628
N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 142814519
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46074804
2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]ethanone
CID 42873406
3,3-dimethyl-1-[4-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 93003661
2,2-dimethyl-1-[4-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 93003636
2-(4-fluorophenyl)-1-[(2R)-2-methyl-4-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]piperazin-1-yl]ethanone
CID 93008130

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 10152465) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is Cc1ccccc1C1c2ccsc2CCN1CC(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is VRALNYPXFSABQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2OS/c1-22-8-2-6-12-27(22)32-28-15-17-37-30(28)14-16-34(32)21-31(36)35(20-25-11-5-7-13-29(25)33)26-18-23-9-3-4-10-24(23)19-26/h2-13,15,17,26,32H,14,16,18-21H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 510.68 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 10152465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).