3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C20H23N3O2S — CID 71883543

IUPAC3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1sccc1C1CC1
InChIInChI=1S/C20H23N3O2S/c24-18(14-21-20(25)19-17(8-13-26-19)15-6-7-15)23-11-9-22(10-12-23)16-4-2-1-3-5-16/h1-5,8,13,15H,6-7,9-12,14H2,(H,21,25)
InChIKeyDMAHSMFJXXYMJY-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.70
Rot. Bonds5

About 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 71883543) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID71883543
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1sccc1C1CC1
InChIInChI=1S/C20H23N3O2S/c24-18(14-21-20(25)19-17(8-13-26-19)15-6-7-15)23-11-9-22(10-12-23)16-4-2-1-3-5-16/h1-5,8,13,15H,6-7,9-12,14H2,(H,21,25)
InChIKeyDMAHSMFJXXYMJY-UHFFFAOYSA-N
XLogP2.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 71883543) is 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is DMAHSMFJXXYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18(14-21-20(25)19-17(8-13-26-19)15-6-7-15)23-11-9-22(10-12-23)16-4-2-1-3-5-16/h1-5,8,13,15H,6-7,9-12,14H2,(H,21,25).
What are the key properties of 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71883543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).