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

C23H25N7O2S2 — CID 650160

IUPACN-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H25N7O2S2/c1-23(2,3)25-22(32)20(16-8-10-24-11-9-16)29(14-17-6-4-12-33-17)19(31)15-30-27-21(26-28-30)18-7-5-13-34-18/h4-13,20H,14-15H2,1-3H3,(H,25,32)
InChIKeyRAEBUDFWDUCFPH-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.54
Rot. Bonds8

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

N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide (PubChem CID 650160) has the molecular formula C23H25N7O2S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
PubChem CID650160
Molecular FormulaC23H25N7O2S2
Molecular Weight495.63 g/mol
Exact Mass495.15
IUPAC NameN-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESCC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H25N7O2S2/c1-23(2,3)25-22(32)20(16-8-10-24-11-9-16)29(14-17-6-4-12-33-17)19(31)15-30-27-21(26-28-30)18-7-5-13-34-18/h4-13,20H,14-15H2,1-3H3,(H,25,32)
InChIKeyRAEBUDFWDUCFPH-UHFFFAOYSA-N
XLogP3.54
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide (CID 650160) is N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide is CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The InChIKey is RAEBUDFWDUCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S2/c1-23(2,3)25-22(32)20(16-8-10-24-11-9-16)29(14-17-6-4-12-33-17)19(31)15-30-27-21(26-28-30)18-7-5-13-34-18/h4-13,20H,14-15H2,1-3H3,(H,25,32).
What are the key properties of N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide has a molecular weight of 495.63 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-pyridin-4-yl-2-[thiophen-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 650160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).