2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C26H34N4O4S — CID 146171280

IUPAC2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1
InChIInChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33)
InChIKeyUAMDHZJOGXWLGH-UHFFFAOYSA-N
MW498.65 g/mol
LogP2.39
Rot. Bonds14

About 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 146171280) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID146171280
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1
InChIInChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33)
InChIKeyUAMDHZJOGXWLGH-UHFFFAOYSA-N
XLogP2.39
TPSA122.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 146171280) is 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1.
What is the InChIKey of 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is UAMDHZJOGXWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33).
What are the key properties of 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 498.65 g/mol, XLogP of 2.39, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 146171280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).