N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

C24H26N6O4S — CID 3190081

IUPACN-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C24H26N6O4S/c1-24(2,3)25-23(33)21(16-8-10-17(31)11-9-16)29(14-18-6-4-12-34-18)20(32)15-30-27-22(26-28-30)19-7-5-13-35-19/h4-13,21,31H,14-15H2,1-3H3,(H,25,33)
InChIKeyKEESIIRMLIIADF-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.38
Rot. Bonds8

About N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 3190081) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
PubChem CID3190081
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C24H26N6O4S/c1-24(2,3)25-23(33)21(16-8-10-17(31)11-9-16)29(14-18-6-4-12-34-18)20(32)15-30-27-22(26-28-30)19-7-5-13-35-19/h4-13,21,31H,14-15H2,1-3H3,(H,25,33)
InChIKeyKEESIIRMLIIADF-UHFFFAOYSA-N
XLogP3.38
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)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-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (CID 3190081) is N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is KEESIIRMLIIADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-24(2,3)25-23(33)21(16-8-10-17(31)11-9-16)29(14-18-6-4-12-34-18)20(32)15-30-27-22(26-28-30)19-7-5-13-35-19/h4-13,21,31H,14-15H2,1-3H3,(H,25,33).
What are the key properties of N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 494.58 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).