N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide

C20H24FNO2S — CID 131909443

IUPACN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(CCCO)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-15-4-10-19(11-5-15)25-16(2)20(24)22(12-3-13-23)14-17-6-8-18(21)9-7-17/h4-11,16,23H,3,12-14H2,1-2H3
InChIKeyCJULSYFKFLPJGT-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.03
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide

N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 131909443) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID131909443
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(CCCO)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-15-4-10-19(11-5-15)25-16(2)20(24)22(12-3-13-23)14-17-6-8-18(21)9-7-17/h4-11,16,23H,3,12-14H2,1-2H3
InChIKeyCJULSYFKFLPJGT-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-[1-(4-Benzylsulfanyl-phenyl)-ethyl]-N-hydroxy-acetamide
CID 14156802
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 1244968
N-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7924674
N-benzyl-3-((4-fluorophenyl)thio)propanamide
CID 7254918
3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[4-(methylthio)benzyl]propanamide
CID 46993965
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide
CID 399836
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3425071
N-benzyl-N-ethyl-3-[(3-fluorophenyl)methylsulfanyl]propanamide
CID 3429614
3-[(4-Fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-[(3,4-Difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3690961

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 131909443) is N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)N(CCCO)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is CJULSYFKFLPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-15-4-10-19(11-5-15)25-16(2)20(24)22(12-3-13-23)14-17-6-8-18(21)9-7-17/h4-11,16,23H,3,12-14H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 361.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 131909443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).