3-butylsulfinyl-N-(3-cyanophenyl)propanamide

C14H18N2O2S — CID 64692135

IUPAC3-butylsulfinyl-N-(3-cyanophenyl)propanamide
SMILESCCCCS(=O)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-2-3-8-19(18)9-7-14(17)16-13-6-4-5-12(10-13)11-15/h4-6,10H,2-3,7-9H2,1H3,(H,16,17)
InChIKeyIRCVVRBOAQOOTD-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.44
Rot. Bonds7

About 3-butylsulfinyl-N-(3-cyanophenyl)propanamide

3-butylsulfinyl-N-(3-cyanophenyl)propanamide (PubChem CID 64692135) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-butylsulfinyl-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-butylsulfinyl-N-(3-cyanophenyl)propanamide
PubChem CID64692135
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-butylsulfinyl-N-(3-cyanophenyl)propanamide
SMILESCCCCS(=O)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-2-3-8-19(18)9-7-14(17)16-13-6-4-5-12(10-13)11-15/h4-6,10H,2-3,7-9H2,1H3,(H,16,17)
InChIKeyIRCVVRBOAQOOTD-UHFFFAOYSA-N
XLogP2.44
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64690023
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
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N-(3-cyanophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
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2-butylsulfinyl-N-(4-cyanophenyl)acetamide
CID 64692326
N-[(3-cyanophenyl)carbamothioyl]hexanamide
CID 4954024
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfinyl-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-butylsulfinyl-N-(3-cyanophenyl)propanamide (CID 64692135) is 3-butylsulfinyl-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-butylsulfinyl-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-butylsulfinyl-N-(3-cyanophenyl)propanamide is CCCCS(=O)CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-butylsulfinyl-N-(3-cyanophenyl)propanamide?
The InChIKey is IRCVVRBOAQOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-3-8-19(18)9-7-14(17)16-13-6-4-5-12(10-13)11-15/h4-6,10H,2-3,7-9H2,1H3,(H,16,17).
What are the key properties of 3-butylsulfinyl-N-(3-cyanophenyl)propanamide?
3-butylsulfinyl-N-(3-cyanophenyl)propanamide has a molecular weight of 278.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfinyl-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 64692135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).