N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide

C28H29FN6O3S — CID 3180700

IUPACN-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C28H29FN6O3S/c1-38-23-15-8-7-14-22(23)35(25(36)18-34-32-27(31-33-34)20-12-5-6-13-21(20)29)26(24-16-9-17-39-24)28(37)30-19-10-3-2-4-11-19/h5-9,12-17,19,26H,2-4,10-11,18H2,1H3,(H,30,37)
InChIKeyRBTKPSWMWDRHFJ-UHFFFAOYSA-N
MW548.64 g/mol
LogP4.77
Rot. Bonds9

About N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide

N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide (PubChem CID 3180700) has the molecular formula C28H29FN6O3S and a molecular weight of 548.64 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide
PubChem CID3180700
Molecular FormulaC28H29FN6O3S
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC NameN-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C28H29FN6O3S/c1-38-23-15-8-7-14-22(23)35(25(36)18-34-32-27(31-33-34)20-12-5-6-13-21(20)29)26(24-16-9-17-39-24)28(37)30-19-10-3-2-4-11-19/h5-9,12-17,19,26H,2-4,10-11,18H2,1H3,(H,30,37)
InChIKeyRBTKPSWMWDRHFJ-UHFFFAOYSA-N
XLogP4.77
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide 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-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide (CID 3180700) is N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide is COc1ccccc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide?
The InChIKey is RBTKPSWMWDRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3S/c1-38-23-15-8-7-14-22(23)35(25(36)18-34-32-27(31-33-34)20-12-5-6-13-21(20)29)26(24-16-9-17-39-24)28(37)30-19-10-3-2-4-11-19/h5-9,12-17,19,26H,2-4,10-11,18H2,1H3,(H,30,37).
What are the key properties of N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide?
N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide has a molecular weight of 548.64 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3180700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).