N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide

C22H25FN6O2S — CID 3179839

IUPACN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN6O2S/c1-15(22(31)24-18-5-2-3-6-18)28(13-19-7-4-12-32-19)20(30)14-29-26-21(25-27-29)16-8-10-17(23)11-9-16/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,24,31)
InChIKeyBQRUYAKVPNLSLT-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.02
Rot. Bonds8

About N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide

N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 3179839) has the molecular formula C22H25FN6O2S and a molecular weight of 456.55 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
PubChem CID3179839
Molecular FormulaC22H25FN6O2S
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC NameN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN6O2S/c1-15(22(31)24-18-5-2-3-6-18)28(13-19-7-4-12-32-19)20(30)14-29-26-21(25-27-29)16-8-10-17(23)11-9-16/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,24,31)
InChIKeyBQRUYAKVPNLSLT-UHFFFAOYSA-N
XLogP3.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide (CID 3179839) is N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is BQRUYAKVPNLSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2S/c1-15(22(31)24-18-5-2-3-6-18)28(13-19-7-4-12-32-19)20(30)14-29-26-21(25-27-29)16-8-10-17(23)11-9-16/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,24,31).
What are the key properties of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 456.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 3179839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).