2-butylsulfinyl-N-(4-cyanophenyl)acetamide

C13H16N2O2S — CID 64692326

IUPAC2-butylsulfinyl-N-(4-cyanophenyl)acetamide
SMILESCCCCS(=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-2-3-8-18(17)10-13(16)15-12-6-4-11(9-14)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,15,16)
InChIKeyXADSEYQGCSECQY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.05
Rot. Bonds6

About 2-butylsulfinyl-N-(4-cyanophenyl)acetamide

2-butylsulfinyl-N-(4-cyanophenyl)acetamide (PubChem CID 64692326) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-butylsulfinyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-butylsulfinyl-N-(4-cyanophenyl)acetamide
PubChem CID64692326
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-butylsulfinyl-N-(4-cyanophenyl)acetamide
SMILESCCCCS(=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-2-3-8-18(17)10-13(16)15-12-6-4-11(9-14)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,15,16)
InChIKeyXADSEYQGCSECQY-UHFFFAOYSA-N
XLogP2.05
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(3-amino-4-chlorophenyl)-2-butylsulfinylacetamide
CID 61287224
3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
4-[[2-[(4-cyanophenyl)methylsulfinyl]acetyl]amino]benzoic acid
CID 123119208
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
N-[(4-cyanophenyl)carbamothioyl]octanamide
CID 4958873

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-butylsulfinyl-N-(4-cyanophenyl)acetamide (CID 64692326) is 2-butylsulfinyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-butylsulfinyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-butylsulfinyl-N-(4-cyanophenyl)acetamide is CCCCS(=O)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-butylsulfinyl-N-(4-cyanophenyl)acetamide?
The InChIKey is XADSEYQGCSECQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-3-8-18(17)10-13(16)15-12-6-4-11(9-14)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,15,16).
What are the key properties of 2-butylsulfinyl-N-(4-cyanophenyl)acetamide?
2-butylsulfinyl-N-(4-cyanophenyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 64692326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).