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

C28H29FN6O3S — CID 3180431

IUPACN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C28H29FN6O3S/c1-18-13-14-23(38-2)22(16-18)35(26(24-12-7-15-39-24)28(37)30-19-8-3-4-9-19)25(36)17-34-32-27(31-33-34)20-10-5-6-11-21(20)29/h5-7,10-16,19,26H,3-4,8-9,17H2,1-2H3,(H,30,37)
InChIKeyZSQBPWZUVRYDAP-UHFFFAOYSA-N
MW548.64 g/mol
LogP4.69
Rot. Bonds9

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

N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide (PubChem CID 3180431) has the molecular formula C28H29FN6O3S and a molecular weight of 548.64 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide
PubChem CID3180431
Molecular FormulaC28H29FN6O3S
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C28H29FN6O3S/c1-18-13-14-23(38-2)22(16-18)35(26(24-12-7-15-39-24)28(37)30-19-8-3-4-9-19)25(36)17-34-32-27(31-33-34)20-10-5-6-11-21(20)29/h5-7,10-16,19,26H,3-4,8-9,17H2,1-2H3,(H,30,37)
InChIKeyZSQBPWZUVRYDAP-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-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-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide (CID 3180431) is N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide is COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)C(C(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide?
The InChIKey is ZSQBPWZUVRYDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3S/c1-18-13-14-23(38-2)22(16-18)35(26(24-12-7-15-39-24)28(37)30-19-8-3-4-9-19)25(36)17-34-32-27(31-33-34)20-10-5-6-11-21(20)29/h5-7,10-16,19,26H,3-4,8-9,17H2,1-2H3,(H,30,37).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide has a molecular weight of 548.64 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3180431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).