N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide

C27H27FN6O2S — CID 3180409

IUPACN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide
SMILESCc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C27H27FN6O2S/c1-18-7-2-5-10-22(18)34(25(23-11-6-16-37-23)27(36)29-21-8-3-4-9-21)24(35)17-33-31-26(30-32-33)19-12-14-20(28)15-13-19/h2,5-7,10-16,21,25H,3-4,8-9,17H2,1H3,(H,29,36)
InChIKeyPDBDADWJUAZNLZ-UHFFFAOYSA-N
MW518.62 g/mol
LogP4.68
Rot. Bonds8

About N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide

N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide (PubChem CID 3180409) has the molecular formula C27H27FN6O2S and a molecular weight of 518.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide
PubChem CID3180409
Molecular FormulaC27H27FN6O2S
Molecular Weight518.62 g/mol
Exact Mass518.19
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide
SMILESCc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C27H27FN6O2S/c1-18-7-2-5-10-22(18)34(25(23-11-6-16-37-23)27(36)29-21-8-3-4-9-21)24(35)17-33-31-26(30-32-33)19-12-14-20(28)15-13-19/h2,5-7,10-16,21,25H,3-4,8-9,17H2,1H3,(H,29,36)
InChIKeyPDBDADWJUAZNLZ-UHFFFAOYSA-N
XLogP4.68
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide (CID 3180409) is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide is Cc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C(C(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide?
The InChIKey is PDBDADWJUAZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2S/c1-18-7-2-5-10-22(18)34(25(23-11-6-16-37-23)27(36)29-21-8-3-4-9-21)24(35)17-33-31-26(30-32-33)19-12-14-20(28)15-13-19/h2,5-7,10-16,21,25H,3-4,8-9,17H2,1H3,(H,29,36).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide has a molecular weight of 518.62 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).