N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C19H22FNO3S — CID 3659357

IUPACN-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO3S/c1-2-15-7-9-16(10-8-15)13-21-19(22)11-12-25(23,24)14-17-5-3-4-6-18(17)20/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyCOMGRZRWTUGWQG-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.01
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 3659357) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID3659357
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO3S/c1-2-15-7-9-16(10-8-15)13-21-19(22)11-12-25(23,24)14-17-5-3-4-6-18(17)20/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyCOMGRZRWTUGWQG-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 3659357) is N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is CCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is COMGRZRWTUGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-2-15-7-9-16(10-8-15)13-21-19(22)11-12-25(23,24)14-17-5-3-4-6-18(17)20/h3-10H,2,11-14H2,1H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 363.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 3659357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).