N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide

C19H22FNO3S — CID 110315057

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-14(2)12-19(22)21-13-18(15-6-4-3-5-7-15)25(23,24)17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyYTDNXXGEYAILEN-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide

N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide (PubChem CID 110315057) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
PubChem CID110315057
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-14(2)12-19(22)21-13-18(15-6-4-3-5-7-15)25(23,24)17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyYTDNXXGEYAILEN-UHFFFAOYSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315082
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
CID 110633347
1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
CID 108804458
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-phenylpropanamide
CID 9184966
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide (CID 110315057) is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The InChIKey is YTDNXXGEYAILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14(2)12-19(22)21-13-18(15-6-4-3-5-7-15)25(23,24)17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide has a molecular weight of 363.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 110315057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).