5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

C23H26N6O2S — CID 58816349

IUPAC5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C23H26N6O2S/c30-22(26-17-5-7-19(8-6-17)29-16-24-15-25-29)20-9-10-21(32-20)23(31)28-13-11-27(12-14-28)18-3-1-2-4-18/h5-10,15-16,18H,1-4,11-14H2,(H,26,30)
InChIKeyIFSBDHSCSSSWFJ-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.28
Rot. Bonds5

About 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 58816349) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID58816349
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C23H26N6O2S/c30-22(26-17-5-7-19(8-6-17)29-16-24-15-25-29)20-9-10-21(32-20)23(31)28-13-11-27(12-14-28)18-3-1-2-4-18/h5-10,15-16,18H,1-4,11-14H2,(H,26,30)
InChIKeyIFSBDHSCSSSWFJ-UHFFFAOYSA-N
XLogP3.28
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (CID 58816349) is 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IFSBDHSCSSSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c30-22(26-17-5-7-19(8-6-17)29-16-24-15-25-29)20-9-10-21(32-20)23(31)28-13-11-27(12-14-28)18-3-1-2-4-18/h5-10,15-16,18H,1-4,11-14H2,(H,26,30).
What are the key properties of 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 58816349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).