2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

C19H23FN2O3S — CID 97059230

IUPAC2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCCc1ccc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-4-14-5-7-15(8-6-14)13(2)21-12-19(23)22-18-11-16(26(3,24)25)9-10-17(18)20/h5-11,13,21H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyJEZRNQJIMKIYFQ-ZDUSSCGKSA-N
MW378.47 g/mol
LogP3.08
Rot. Bonds7

About 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (PubChem CID 97059230) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
PubChem CID97059230
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCCc1ccc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-4-14-5-7-15(8-6-14)13(2)21-12-19(23)22-18-11-16(26(3,24)25)9-10-17(18)20/h5-11,13,21H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyJEZRNQJIMKIYFQ-ZDUSSCGKSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
CID 97016636
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 33006391
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-[(4-ethylphenyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 43717610
5-(2-fluoro-5-methylsulfonylanilino)-3-methyl-5-oxopentanoic acid
CID 62964722
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
N-[(3,5-difluorophenyl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112840376
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (CID 97059230) is 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is CCc1ccc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The InChIKey is JEZRNQJIMKIYFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-14-5-7-15(8-6-14)13(2)21-12-19(23)22-18-11-16(26(3,24)25)9-10-17(18)20/h5-11,13,21H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 97059230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).