3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide

C16H27N3O3S — CID 113138377

IUPAC3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(CCCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-6-8-15(9-7-14)17-16(20)10-13-19(23(4,21)22)12-5-11-18(2)3/h6-9H,5,10-13H2,1-4H3,(H,17,20)
InChIKeyPUXASXXNQSJIEY-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.54
Rot. Bonds9

About 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide

3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide (PubChem CID 113138377) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
PubChem CID113138377
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(CCCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-6-8-15(9-7-14)17-16(20)10-13-19(23(4,21)22)12-5-11-18(2)3/h6-9H,5,10-13H2,1-4H3,(H,17,20)
InChIKeyPUXASXXNQSJIEY-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide (CID 113138377) is 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN(CCCN(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is PUXASXXNQSJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14-6-8-15(9-7-14)17-16(20)10-13-19(23(4,21)22)12-5-11-18(2)3/h6-9H,5,10-13H2,1-4H3,(H,17,20).
What are the key properties of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide?
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 341.48 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113138377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).