N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide

C22H32N4O3S — CID 99800048

IUPACN-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide
SMILESCCN(CCc1ccccc1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC
InChIInChI=1S/C22H32N4O3S/c1-4-25(15-14-18-10-8-7-9-11-18)17-22(27)24-20-16-19(30(23,28)29)12-13-21(20)26(5-2)6-3/h7-13,16H,4-6,14-15,17H2,1-3H3,(H,24,27)(H2,23,28,29)
InChIKeyKPRXXEROUDWPGU-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.68
Rot. Bonds11

About N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide

N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide (PubChem CID 99800048) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide
PubChem CID99800048
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide
SMILESCCN(CCc1ccccc1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC
InChIInChI=1S/C22H32N4O3S/c1-4-25(15-14-18-10-8-7-9-11-18)17-22(27)24-20-16-19(30(23,28)29)12-13-21(20)26(5-2)6-3/h7-13,16H,4-6,14-15,17H2,1-3H3,(H,24,27)(H2,23,28,29)
InChIKeyKPRXXEROUDWPGU-UHFFFAOYSA-N
XLogP2.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide 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-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide (CID 99800048) is N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide is CCN(CCc1ccccc1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC.
What is the InChIKey of N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide?
The InChIKey is KPRXXEROUDWPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-4-25(15-14-18-10-8-7-9-11-18)17-22(27)24-20-16-19(30(23,28)29)12-13-21(20)26(5-2)6-3/h7-13,16H,4-6,14-15,17H2,1-3H3,(H,24,27)(H2,23,28,29).
What are the key properties of N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide?
N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide has a molecular weight of 432.59 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-sulfamoylphenyl]-2-[ethyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 99800048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).