N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide

C18H16FNO3S — CID 97063401

IUPACN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)c(F)c1
InChIInChI=1S/C18H16FNO3S/c1-23-12-6-7-13(14(19)9-12)18(22)20-10-15(21)17-8-11-4-2-3-5-16(11)24-17/h2-9,15,21H,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyWCMYBEDXTMWJOA-OAHLLOKOSA-N
MW345.40 g/mol
LogP3.51
Rot. Bonds5

About N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide (PubChem CID 97063401) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide
PubChem CID97063401
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)c(F)c1
InChIInChI=1S/C18H16FNO3S/c1-23-12-6-7-13(14(19)9-12)18(22)20-10-15(21)17-8-11-4-2-3-5-16(11)24-17/h2-9,15,21H,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyWCMYBEDXTMWJOA-OAHLLOKOSA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-1-benzothiophene
CID 63434554

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide (CID 97063401) is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)c(F)c1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is WCMYBEDXTMWJOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-23-12-6-7-13(14(19)9-12)18(22)20-10-15(21)17-8-11-4-2-3-5-16(11)24-17/h2-9,15,21H,10H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide?
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 97063401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).