N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide

C15H23N3O4S — CID 122185696

IUPACN-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySSLAORIGTKDWNX-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.71
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide

N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide (PubChem CID 122185696) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide
PubChem CID122185696
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySSLAORIGTKDWNX-UHFFFAOYSA-N
XLogP0.71
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide (CID 122185696) is N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide?
The InChIKey is SSLAORIGTKDWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide?
N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide has a molecular weight of 341.43 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 122185696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).