N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C19H23FN2O4S — CID 94019110

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-26-18-10-8-15(9-11-18)14(2)21-19(23)13-22(27(3,24)25)17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyCBAMTGNVSZLXPT-CQSZACIVSA-N
MW394.47 g/mol
LogP2.87
Rot. Bonds8

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 94019110) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID94019110
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-26-18-10-8-15(9-11-18)14(2)21-19(23)13-22(27(3,24)25)17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyCBAMTGNVSZLXPT-CQSZACIVSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92677359
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92680814
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43875485
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 28632113
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99955621
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 92674141

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 94019110) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is CBAMTGNVSZLXPT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-4-26-18-10-8-15(9-11-18)14(2)21-19(23)13-22(27(3,24)25)17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 94019110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).