N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

C16H26N2O3S — CID 113150779

IUPACN-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCCCN(C)C(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-17(3)16(19)13-18(22(4,20)21)12-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyHMWUCCIJQQOHCY-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.02
Rot. Bonds8

About N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113150779) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113150779
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCCCN(C)C(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-17(3)16(19)13-18(22(4,20)21)12-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyHMWUCCIJQQOHCY-UHFFFAOYSA-N
XLogP2.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113139013
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148121
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076479

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 113150779) is N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is CCCCN(C)C(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is HMWUCCIJQQOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-11-17(3)16(19)13-18(22(4,20)21)12-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).