N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide

C20H22N4O2S — CID 120850419

IUPACN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2sccc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C20H22N4O2S/c1-2-13-5-7-14(8-6-13)16(25)22-18-15(9-12-27-18)17-23-19(24-26-17)20(21)10-3-4-11-20/h5-9,12H,2-4,10-11,21H2,1H3,(H,22,25)
InChIKeyDNHHWKKKTCFIGC-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.34
Rot. Bonds5

About N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide (PubChem CID 120850419) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide
PubChem CID120850419
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2sccc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C20H22N4O2S/c1-2-13-5-7-14(8-6-13)16(25)22-18-15(9-12-27-18)17-23-19(24-26-17)20(21)10-3-4-11-20/h5-9,12H,2-4,10-11,21H2,1H3,(H,22,25)
InChIKeyDNHHWKKKTCFIGC-UHFFFAOYSA-N
XLogP4.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 120856138
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
CID 120857322
N-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120855614
1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853558
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120863210
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
CID 120860575
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
CID 120852189
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852613

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide?
The IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide (CID 120850419) is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide?
The canonical SMILES for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2sccc2-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide?
The InChIKey is DNHHWKKKTCFIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-13-5-7-14(8-6-13)16(25)22-18-15(9-12-27-18)17-23-19(24-26-17)20(21)10-3-4-11-20/h5-9,12H,2-4,10-11,21H2,1H3,(H,22,25).
What are the key properties of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide?
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide has a molecular weight of 382.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide is sourced from PubChem (CID 120850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).