2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C29H34N4O3S — CID 146171279

IUPAC2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#CCCN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36)
InChIKeyXZPNEWBDLFUWEA-UHFFFAOYSA-N
MW518.68 g/mol
LogP3.41
Rot. Bonds14

About 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 146171279) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID146171279
Molecular FormulaC29H34N4O3S
Molecular Weight518.68 g/mol
Exact Mass518.24
IUPAC Name2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#CCCN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36)
InChIKeyXZPNEWBDLFUWEA-UHFFFAOYSA-N
XLogP3.41
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(cyanomethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156009494
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
N~2~-methyl-N-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2188522
2-(2-phenylethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2411489
2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9105795
2-Amino-N-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-acetamide
CID 10615166
2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-amino]-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 25181081
2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 29114051
2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 29114074
N-benzyl-2-(dibenzylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156010056
3-[[2-Oxo-2-[2-phenylethyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]-(2-phenylethyl)amino]propanoic acid
CID 156012386

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 146171279) is 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is N#CCCN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is XZPNEWBDLFUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36).
What are the key properties of 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 518.68 g/mol, XLogP of 3.41, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-phenylethyl)amino]-N-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 146171279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).