N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide

C16H27N3O3S — CID 86908532

IUPACN-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H27N3O3S/c1-16(2,3)17-15(20)12-19(6)11-13-8-7-9-14(10-13)23(21,22)18(4)5/h7-10H,11-12H2,1-6H3,(H,17,20)
InChIKeyDRUFANWZXMMZJC-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.28
Rot. Bonds6

About N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide

N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide (PubChem CID 86908532) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
PubChem CID86908532
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H27N3O3S/c1-16(2,3)17-15(20)12-19(6)11-13-8-7-9-14(10-13)23(21,22)18(4)5/h7-10H,11-12H2,1-6H3,(H,17,20)
InChIKeyDRUFANWZXMMZJC-UHFFFAOYSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylacetamide
CID 43460254
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide (CID 86908532) is N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)Cc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide?
The InChIKey is DRUFANWZXMMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-16(2,3)17-15(20)12-19(6)11-13-8-7-9-14(10-13)23(21,22)18(4)5/h7-10H,11-12H2,1-6H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide?
N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 86908532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).