N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide

C18H20FNOS — CID 134028397

IUPACN-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-2-12-20(13-15-6-4-3-5-7-15)18(21)14-22-17-10-8-16(19)9-11-17/h3-11H,2,12-14H2,1H3
InChIKeyNEBLTYINAYWJRV-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.36
Rot. Bonds7

About N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide

N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide (PubChem CID 134028397) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
PubChem CID134028397
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-2-12-20(13-15-6-4-3-5-7-15)18(21)14-22-17-10-8-16(19)9-11-17/h3-11H,2,12-14H2,1H3
InChIKeyNEBLTYINAYWJRV-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 121085126
N-benzyl-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 8886272
N-(cyanomethyl)-2-phenylsulfanyl-N-propylacetamide
CID 78968777
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
[4-[[butyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate
CID 3479508
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide (CID 134028397) is N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide is CCCN(Cc1ccccc1)C(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide?
The InChIKey is NEBLTYINAYWJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-2-12-20(13-15-6-4-3-5-7-15)18(21)14-22-17-10-8-16(19)9-11-17/h3-11H,2,12-14H2,1H3.
What are the key properties of N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide?
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide has a molecular weight of 317.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 134028397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).