4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide

C13H21N3O3S — CID 119309219

IUPAC4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)8-7-15-13(17)12-5-3-11(9-14)4-6-12/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyROZVVNDYMUGVBG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.20
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide

4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide (PubChem CID 119309219) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide
PubChem CID119309219
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)8-7-15-13(17)12-5-3-11(9-14)4-6-12/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyROZVVNDYMUGVBG-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119311626
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4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274
4-[[4-(aminomethyl)benzoyl]amino]-3-methylbutanoic acid
CID 81073583
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032
(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 119309214
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide (CID 119309219) is 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide is CC(C)NS(=O)(=O)CCNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide?
The InChIKey is ROZVVNDYMUGVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)16-20(18,19)8-7-15-13(17)12-5-3-11(9-14)4-6-12/h3-6,10,16H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide?
4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 119309219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).