N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide

C13H18FNOS — CID 60635883

IUPACN,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-3-15(4-2)13(16)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYTAZBTRCGMPGFW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds6

About N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide

N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 60635883) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID60635883
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC NameN,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-3-15(4-2)13(16)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYTAZBTRCGMPGFW-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Methyl-4-[(phenylthio)acetyl]-1,4-diazepane
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N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
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3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
1-(2-Methylpropyl)-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24761228
4-(2-Phenylsulfanylethyl)-1-propyl-1,4-diazepan-5-one
CID 24761287
1-Methyl-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24761289
2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468301
AC1Lgqzx
CID 875426
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
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N-[2-(dimethylamino)ethyl]-2-(phenylsulfanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 60635883) is N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide is CCN(CC)C(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is YTAZBTRCGMPGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-3-15(4-2)13(16)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 60635883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).