3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide

C15H24N2O3S — CID 113141302

IUPAC3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
SMILESCCCCCN(CCC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-3-4-8-12-17(21(2,19)20)13-11-15(18)16-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyMBOLJGBSTKULJD-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.47
Rot. Bonds9

About 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide

3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide (PubChem CID 113141302) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
PubChem CID113141302
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
SMILESCCCCCN(CCC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-3-4-8-12-17(21(2,19)20)13-11-15(18)16-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyMBOLJGBSTKULJD-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.47
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
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide (CID 113141302) is 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide is CCCCCN(CCC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide?
The InChIKey is MBOLJGBSTKULJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-8-12-17(21(2,19)20)13-11-15(18)16-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18).
What are the key properties of 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide?
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide has a molecular weight of 312.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113141302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).