N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide

C19H25N3O3S — CID 118706962

IUPACN-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23)
InChIKeyUATOAAYTUTXGEV-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.33
Rot. Bonds8

About N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide

N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide (PubChem CID 118706962) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide
PubChem CID118706962
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23)
InChIKeyUATOAAYTUTXGEV-UHFFFAOYSA-N
XLogP3.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide (CID 118706962) is N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide?
The InChIKey is UATOAAYTUTXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23).
What are the key properties of N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide?
N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 118706962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).