2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide

C15H24N2O3S — CID 113147718

IUPAC2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18)
InChIKeyMQPQDBKEPANTEW-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.41
Rot. Bonds8

About 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide

2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 113147718) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID113147718
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18)
InChIKeyMQPQDBKEPANTEW-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.41
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-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147701
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
CID 113147725
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide (CID 113147718) is 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide is CC(C)N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is MQPQDBKEPANTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide?
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113147718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).