4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide

C15H25N3O3S — CID 119505424

IUPAC4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-16-10-11-17-14(19)12-6-8-13(9-7-12)22(20,21)18-15(2,3)4/h6-9,16,18H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyJGCIXJNOFLPCFF-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.10
Rot. Bonds7

About 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide

4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119505424) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119505424
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-16-10-11-17-14(19)12-6-8-13(9-7-12)22(20,21)18-15(2,3)4/h6-9,16,18H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyJGCIXJNOFLPCFF-UHFFFAOYSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68609461

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide (CID 119505424) is 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is JGCIXJNOFLPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-16-10-11-17-14(19)12-6-8-13(9-7-12)22(20,21)18-15(2,3)4/h6-9,16,18H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide?
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 327.45 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119505424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).