N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide

C24H24FNOS — CID 41271789

IUPACN,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide
SMILESO=C(CCCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNOS/c25-22-13-15-23(16-14-22)28-17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2
InChIKeyCAZSSXBXIISWLO-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.93
Rot. Bonds9

About N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide

N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide (PubChem CID 41271789) has the molecular formula C24H24FNOS and a molecular weight of 393.53 g/mol. Its IUPAC name is N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide
PubChem CID41271789
Molecular FormulaC24H24FNOS
Molecular Weight393.53 g/mol
Exact Mass393.16
IUPAC NameN,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide
SMILESO=C(CCCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNOS/c25-22-13-15-23(16-14-22)28-17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2
InChIKeyCAZSSXBXIISWLO-UHFFFAOYSA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 846429
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
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CID 2977027
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919
1-(2-phenylethyl)-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24761309
1-Benzyl-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24767053
1-benzyl-4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one
CID 24767169
1-benzyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24767273
2-[Bis(4-fluorophenyl)methylsulfanyl]-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 134155532
N-[2-(4-fluorophenyl)ethyl]-2-(phenylthio)acetamide
CID 1122115

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide?
The IUPAC name of N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide (CID 41271789) is N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide.
What is the SMILES notation for N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide?
The canonical SMILES for N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide is O=C(CCCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide?
The InChIKey is CAZSSXBXIISWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNOS/c25-22-13-15-23(16-14-22)28-17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2.
What are the key properties of N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide?
N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide has a molecular weight of 393.53 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(4-fluorophenyl)sulfanylbutanamide is sourced from PubChem (CID 41271789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).