2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C19H22FNO3S2 — CID 132660181

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22FNO3S2/c1-3-18(14-8-10-16(11-9-14)26(2,23)24)21-19(22)13-25-12-15-6-4-5-7-17(15)20/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyHSQFUWDLFVDTFB-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.73
Rot. Bonds8

About 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 132660181) has the molecular formula C19H22FNO3S2 and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID132660181
Molecular FormulaC19H22FNO3S2
Molecular Weight395.52 g/mol
Exact Mass395.10
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22FNO3S2/c1-3-18(14-8-10-16(11-9-14)26(2,23)24)21-19(22)13-25-12-15-6-4-5-7-17(15)20/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyHSQFUWDLFVDTFB-UHFFFAOYSA-N
XLogP3.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 94014212
3-benzylsulfanyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 132659492
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31542494
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-(2-fluorophenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247307
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 132660181) is 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCC(NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is HSQFUWDLFVDTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S2/c1-3-18(14-8-10-16(11-9-14)26(2,23)24)21-19(22)13-25-12-15-6-4-5-7-17(15)20/h4-11,18H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 395.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 132660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).