N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide

C18H31N3O3S — CID 55591185

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide
SMILESCC(C)CC(C)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H31N3O3S/c1-14(2)11-15(3)21(6)13-18(22)19-12-16-9-7-8-10-17(16)25(23,24)20(4)5/h7-10,14-15H,11-13H2,1-6H3,(H,19,22)
InChIKeyYSEJLDVOWIDUHC-UHFFFAOYSA-N
MW369.53 g/mol
LogP1.92
Rot. Bonds9

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide (PubChem CID 55591185) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide
PubChem CID55591185
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide
SMILESCC(C)CC(C)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H31N3O3S/c1-14(2)11-15(3)21(6)13-18(22)19-12-16-9-7-8-10-17(16)25(23,24)20(4)5/h7-10,14-15H,11-13H2,1-6H3,(H,19,22)
InChIKeyYSEJLDVOWIDUHC-UHFFFAOYSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
CID 55865470
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 33457323
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide (CID 55591185) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide is CC(C)CC(C)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide?
The InChIKey is YSEJLDVOWIDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-14(2)11-15(3)21(6)13-18(22)19-12-16-9-7-8-10-17(16)25(23,24)20(4)5/h7-10,14-15H,11-13H2,1-6H3,(H,19,22).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide has a molecular weight of 369.53 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide is sourced from PubChem (CID 55591185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).