N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C21H23FN6O2S — CID 3179727

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1
InChIInChI=1S/C21H23FN6O2S/c22-16-9-7-15(8-10-16)21-24-26-28(25-21)14-20(30)27(12-18-6-3-11-31-18)13-19(29)23-17-4-1-2-5-17/h3,6-11,17H,1-2,4-5,12-14H2,(H,23,29)
InChIKeyBJRXWSYZUPFSFY-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.63
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3179727) has the molecular formula C21H23FN6O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3179727
Molecular FormulaC21H23FN6O2S
Molecular Weight442.52 g/mol
Exact Mass442.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1
InChIInChI=1S/C21H23FN6O2S/c22-16-9-7-15(8-10-16)21-24-26-28(25-21)14-20(30)27(12-18-6-3-11-31-18)13-19(29)23-17-4-1-2-5-17/h3,6-11,17H,1-2,4-5,12-14H2,(H,23,29)
InChIKeyBJRXWSYZUPFSFY-UHFFFAOYSA-N
XLogP2.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3179727) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BJRXWSYZUPFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2S/c22-16-9-7-15(8-10-16)21-24-26-28(25-21)14-20(30)27(12-18-6-3-11-31-18)13-19(29)23-17-4-1-2-5-17/h3,6-11,17H,1-2,4-5,12-14H2,(H,23,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3179727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).