2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide

C15H15Cl2N3OS — CID 4139124

IUPAC2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide
SMILESO=C(NN1CCN(c2ccccc2)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2N3OS/c16-13-10-12(14(17)22-13)15(21)18-20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,21)
InChIKeyBAMCOEIGQSQRNF-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.52
Rot. Bonds3

About 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide

2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide (PubChem CID 4139124) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide
PubChem CID4139124
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC Name2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide
SMILESO=C(NN1CCN(c2ccccc2)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2N3OS/c16-13-10-12(14(17)22-13)15(21)18-20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,21)
InChIKeyBAMCOEIGQSQRNF-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide (CID 4139124) is 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide is O=C(NN1CCN(c2ccccc2)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide?
The InChIKey is BAMCOEIGQSQRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c16-13-10-12(14(17)22-13)15(21)18-20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,21).
What are the key properties of 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide has a molecular weight of 356.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 4139124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).