3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide

C13H21N3O3S — CID 106333123

IUPAC3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C13H21N3O3S/c1-2-16-20(18,19)9-8-15-13(17)12-5-3-4-11(10-12)6-7-14/h3-5,10,16H,2,6-9,14H2,1H3,(H,15,17)
InChIKeyYOCULROEJHQZKA-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.14
Rot. Bonds8

About 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide

3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide (PubChem CID 106333123) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
PubChem CID106333123
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C13H21N3O3S/c1-2-16-20(18,19)9-8-15-13(17)12-5-3-4-11(10-12)6-7-14/h3-5,10,16H,2,6-9,14H2,1H3,(H,15,17)
InChIKeyYOCULROEJHQZKA-UHFFFAOYSA-N
XLogP-0.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
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2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
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3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2-aminoethyl)-N-(azidomethylsulfonyl)benzamide
CID 118358173
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
3-(aminomethyl)-N-ethylbenzamide
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CID 106274758

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide (CID 106333123) is 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide is CCNS(=O)(=O)CCNC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The InChIKey is YOCULROEJHQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-16-20(18,19)9-8-15-13(17)12-5-3-4-11(10-12)6-7-14/h3-5,10,16H,2,6-9,14H2,1H3,(H,15,17).
What are the key properties of 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide?
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 106333123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).