N-(3-cyanophenyl)-4-propylsulfinylbutanamide

C14H18N2O2S — CID 64690477

IUPACN-(3-cyanophenyl)-4-propylsulfinylbutanamide
SMILESCCCS(=O)CCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-2-8-19(18)9-4-7-14(17)16-13-6-3-5-12(10-13)11-15/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,17)
InChIKeyALYXDYYNNPWIOR-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.44
Rot. Bonds7

About N-(3-cyanophenyl)-4-propylsulfinylbutanamide

N-(3-cyanophenyl)-4-propylsulfinylbutanamide (PubChem CID 64690477) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-propylsulfinylbutanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-propylsulfinylbutanamide
PubChem CID64690477
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(3-cyanophenyl)-4-propylsulfinylbutanamide
SMILESCCCS(=O)CCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-2-8-19(18)9-4-7-14(17)16-13-6-3-5-12(10-13)11-15/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,17)
InChIKeyALYXDYYNNPWIOR-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

3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
N-(3-cyanophenyl)-4-(3-methoxypropylsulfinyl)butanamide
CID 64690023
N-(3-cyanophenyl)octanamide
CID 4958584
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-cyanophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 64692063
N-[(3-cyanophenyl)carbamothioyl]hexanamide
CID 4954024
N-(3-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982247
ethyl 2-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylacetate
CID 43618394
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104
methyl 3-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylpropanoate
CID 43617799

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-propylsulfinylbutanamide?
The IUPAC name of N-(3-cyanophenyl)-4-propylsulfinylbutanamide (CID 64690477) is N-(3-cyanophenyl)-4-propylsulfinylbutanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-propylsulfinylbutanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-propylsulfinylbutanamide is CCCS(=O)CCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-propylsulfinylbutanamide?
The InChIKey is ALYXDYYNNPWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-8-19(18)9-4-7-14(17)16-13-6-3-5-12(10-13)11-15/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanophenyl)-4-propylsulfinylbutanamide?
N-(3-cyanophenyl)-4-propylsulfinylbutanamide 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 N-(3-cyanophenyl)-4-propylsulfinylbutanamide is sourced from PubChem (CID 64690477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).