N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide

C17H28N2O3S — CID 113139013

IUPACN-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCCCCN(C)C(=O)CCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-6-12-18(3)17(20)11-13-19(23(4,21)22)14-16-9-7-15(2)8-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyDXSQJEYFESYWBT-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.41
Rot. Bonds9

About N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide

N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139013) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139013
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCCCCN(C)C(=O)CCN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-6-12-18(3)17(20)11-13-19(23(4,21)22)14-16-9-7-15(2)8-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyDXSQJEYFESYWBT-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150779
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113139013) is N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide is CCCCN(C)C(=O)CCN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is DXSQJEYFESYWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-6-12-18(3)17(20)11-13-19(23(4,21)22)14-16-9-7-15(2)8-10-16/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).