N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide

C20H25N3O5S — CID 2469862

IUPACN-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)23(13-19(21)24)20(25)15-9-11-16(12-10-15)29(26,27)22(3)17-7-5-6-8-18(17)28-4/h5-12,14H,13H2,1-4H3,(H2,21,24)
InChIKeyQIMMZBPXRAYFPD-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.86
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 2469862) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide
PubChem CID2469862
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)23(13-19(21)24)20(25)15-9-11-16(12-10-15)29(26,27)22(3)17-7-5-6-8-18(17)28-4/h5-12,14H,13H2,1-4H3,(H2,21,24)
InChIKeyQIMMZBPXRAYFPD-UHFFFAOYSA-N
XLogP1.86
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide (CID 2469862) is N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C(C)C)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is QIMMZBPXRAYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(2)23(13-19(21)24)20(25)15-9-11-16(12-10-15)29(26,27)22(3)17-7-5-6-8-18(17)28-4/h5-12,14H,13H2,1-4H3,(H2,21,24).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).