3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

C16H18FNO3S — CID 97417485

IUPAC3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](OC)c2ccc(C)s2)cc1F
InChIInChI=1S/C16H18FNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)11-5-6-13(20-2)12(17)8-11/h4-8,14H,9H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyAFHKLLFMPBLBRZ-CQSZACIVSA-N
MW323.39 g/mol
LogP3.32
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 97417485) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID97417485
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](OC)c2ccc(C)s2)cc1F
InChIInChI=1S/C16H18FNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)11-5-6-13(20-2)12(17)8-11/h4-8,14H,9H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyAFHKLLFMPBLBRZ-CQSZACIVSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (CID 97417485) is 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is COc1ccc(C(=O)NC[C@@H](OC)c2ccc(C)s2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is AFHKLLFMPBLBRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)11-5-6-13(20-2)12(17)8-11/h4-8,14H,9H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 323.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 97417485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).