N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

C17H18FNOS — CID 112760111

IUPACN-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3
InChIKeyYJUOZATXCOBRQL-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 112760111) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID112760111
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3
InChIKeyYJUOZATXCOBRQL-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55997454
N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233831
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949
3-(4-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512641
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132617396
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 112760111) is N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is YJUOZATXCOBRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-19(13-14-5-3-2-4-6-14)17(20)11-12-21-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3.
What are the key properties of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 112760111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).