N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

C19H18FNO2S — CID 99979902

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESC[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyJADSURABKXWRFD-IBGZPJMESA-N
MW343.42 g/mol
LogP3.61
Rot. Bonds5

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (PubChem CID 99979902) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
PubChem CID99979902
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESC[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyJADSURABKXWRFD-IBGZPJMESA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 99980785
N'-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86264041
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
CID 86263964
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 99980328
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 86264004
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
CID 99980030
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (CID 99979902) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JADSURABKXWRFD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 99979902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).