2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide

C22H18FNO2S — CID 95146289

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H18FNO2S/c23-18-10-8-15(9-11-18)20(19-5-2-12-27-19)24-22(26)21(25)17-7-6-14-3-1-4-16(14)13-17/h2,5-13,20H,1,3-4H2,(H,24,26)/t20-/m1/s1
InChIKeyBZKYTZWUKJHDLQ-HXUWFJFHSA-N
MW379.46 g/mol
LogP4.46
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide (PubChem CID 95146289) has the molecular formula C22H18FNO2S and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide
PubChem CID95146289
Molecular FormulaC22H18FNO2S
Molecular Weight379.46 g/mol
Exact Mass379.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H18FNO2S/c23-18-10-8-15(9-11-18)20(19-5-2-12-27-19)24-22(26)21(25)17-7-6-14-3-1-4-16(14)13-17/h2,5-13,20H,1,3-4H2,(H,24,26)/t20-/m1/s1
InChIKeyBZKYTZWUKJHDLQ-HXUWFJFHSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
4-amino-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 41263224

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide (CID 95146289) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide is O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide?
The InChIKey is BZKYTZWUKJHDLQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18FNO2S/c23-18-10-8-15(9-11-18)20(19-5-2-12-27-19)24-22(26)21(25)17-7-6-14-3-1-4-16(14)13-17/h2,5-13,20H,1,3-4H2,(H,24,26)/t20-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide has a molecular weight of 379.46 g/mol, XLogP of 4.46, 5 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-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide is sourced from PubChem (CID 95146289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).