3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide

C19H22FNO4S — CID 90599180

IUPAC3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
SMILESCOC(C)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO4S/c1-19(25-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-26(23,24)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyVBFKHIHXNIOHIP-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.67
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide

3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide (PubChem CID 90599180) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
PubChem CID90599180
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
SMILESCOC(C)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO4S/c1-19(25-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-26(23,24)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyVBFKHIHXNIOHIP-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
2-(cyclopentylthio)-N-(2-(2-fluorophenyl)-2-methoxypropyl)acetamide
CID 71810615
N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810637
N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 73168410
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl](3-thienyl)acetamide
CID 97428418
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(R)-2-(2-hydroxyethoxy)-2-(p-tolyl)ethyl](p-fluorophenylthio)acetamide
CID 97548820
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl](benzylthio)acetamide
CID 97553399
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
N-(2-(3-chlorophenyl)-2-methoxypropyl)-3-(phenylthio)propanamide
CID 76150065
N-(isochroman-3-ylmethyl)-N-methyl-3-(phenylsulfonyl)propanamide
CID 91626580
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]3-(phenylsulfonyl)propionamide
CID 96351481

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide (CID 90599180) is 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide is COC(C)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide?
The InChIKey is VBFKHIHXNIOHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-19(25-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-26(23,24)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide?
3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide has a molecular weight of 379.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide is sourced from PubChem (CID 90599180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).