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

C17H28N2O3S — CID 113141316

IUPACN-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-4-6-7-13-19(23(3,21)22)14-12-17(20)18-16-10-8-15(5-2)9-11-16/h8-11H,4-7,12-14H2,1-3H3,(H,18,20)
InChIKeySGPISNPMSCMSIB-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.03
Rot. Bonds10

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

N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (PubChem CID 113141316) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
PubChem CID113141316
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-4-6-7-13-19(23(3,21)22)14-12-17(20)18-16-10-8-15(5-2)9-11-16/h8-11H,4-7,12-14H2,1-3H3,(H,18,20)
InChIKeySGPISNPMSCMSIB-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (CID 113141316) is N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is CCCCCN(CCC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The InChIKey is SGPISNPMSCMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-6-7-13-19(23(3,21)22)14-12-17(20)18-16-10-8-15(5-2)9-11-16/h8-11H,4-7,12-14H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide has a molecular weight of 340.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is sourced from PubChem (CID 113141316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).