(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide

C18H20FNO3S — CID 129371553

IUPAC(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO3S/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)24(22,23)17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVSLUPLJFJZNOOR-AWEZNQCLSA-N
MW349.43 g/mol
LogP2.66
Rot. Bonds6

About (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide

(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 129371553) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID129371553
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO3S/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)24(22,23)17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVSLUPLJFJZNOOR-AWEZNQCLSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 124509791
(2R)-N-(2-chlorophenyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 129371555
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 129397345
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 129371553) is (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is VSLUPLJFJZNOOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)24(22,23)17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide?
(2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)sulfonyl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 129371553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).