(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide

C17H18FNO3S — CID 95599547

IUPAC(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-12(23(21)11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)22-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-,23+/m0/s1
InChIKeyCVBIDRXAGPBEGA-DAOPMYJZSA-N
MW335.40 g/mol
LogP3.11
Rot. Bonds6

About (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide

(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 95599547) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
PubChem CID95599547
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-12(23(21)11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)22-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-,23+/m0/s1
InChIKeyCVBIDRXAGPBEGA-DAOPMYJZSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
2-[(3-fluorophenyl)methylsulfinyl]propanoic acid
CID 60981912
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 56827552
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
CID 3231748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide (CID 95599547) is (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is CVBIDRXAGPBEGA-DAOPMYJZSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12(23(21)11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)22-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-,23+/m0/s1.
What are the key properties of (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide?
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 335.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 95599547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).