N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C23H26N4O3S — CID 71898998

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CCCC2)no1
InChIInChI=1S/C23H26N4O3S/c1-16-24-22(26-30-16)23(9-5-6-10-23)25-20(28)19-15-18(17-7-3-2-4-8-17)21(31-19)27-11-13-29-14-12-27/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,25,28)
InChIKeyFUUZAXUTFRFXCN-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 71898998) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID71898998
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CCCC2)no1
InChIInChI=1S/C23H26N4O3S/c1-16-24-22(26-30-16)23(9-5-6-10-23)25-20(28)19-15-18(17-7-3-2-4-8-17)21(31-19)27-11-13-29-14-12-27/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,25,28)
InChIKeyFUUZAXUTFRFXCN-UHFFFAOYSA-N
XLogP4.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 71898998) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1nc(C2(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is FUUZAXUTFRFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-24-22(26-30-16)23(9-5-6-10-23)25-20(28)19-15-18(17-7-3-2-4-8-17)21(31-19)27-11-13-29-14-12-27/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,25,28).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 71898998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).