N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

C16H23N3O3S — CID 113141371

IUPACN-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-3-4-5-11-19(23(2,21)22)12-10-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyIMWVKYDGDNXWII-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.34
Rot. Bonds9

About N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (PubChem CID 113141371) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
PubChem CID113141371
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-3-4-5-11-19(23(2,21)22)12-10-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyIMWVKYDGDNXWII-UHFFFAOYSA-N
XLogP2.34
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (CID 113141371) is N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is CCCCCN(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The InChIKey is IMWVKYDGDNXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-4-5-11-19(23(2,21)22)12-10-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide has a molecular weight of 337.44 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is sourced from PubChem (CID 113141371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).