2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C13H21N3O3S — CID 119307081

IUPAC2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CN
InChIInChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)9-12-6-4-3-5-11(12)8-15-13(17)7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyUJEAEFGCXHPEIM-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.09
Rot. Bonds7

About 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 119307081) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID119307081
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CN
InChIInChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)9-12-6-4-3-5-11(12)8-15-13(17)7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyUJEAEFGCXHPEIM-UHFFFAOYSA-N
XLogP0.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24560717
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 119307081) is 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CN.
What is the InChIKey of 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is UJEAEFGCXHPEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)9-12-6-4-3-5-11(12)8-15-13(17)7-14/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119307081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).