N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide

C14H23N3O3S — CID 119405530

IUPACN-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)17-21(19,20)12-7-5-11(6-8-12)13(18)16-10-4-9-15/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeySICGKDOTJWRPDQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.84
Rot. Bonds6

About N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide

N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide (PubChem CID 119405530) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
PubChem CID119405530
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)17-21(19,20)12-7-5-11(6-8-12)13(18)16-10-4-9-15/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeySICGKDOTJWRPDQ-UHFFFAOYSA-N
XLogP0.84
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.84
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

6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-(tert-butylsulfamoyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide
CID 24549953

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide (CID 119405530) is N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide?
The InChIKey is SICGKDOTJWRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)17-21(19,20)12-7-5-11(6-8-12)13(18)16-10-4-9-15/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide?
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide is sourced from PubChem (CID 119405530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).