N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C17H19N3O2S — CID 724147

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H19N3O2S/c1-19-8-10-20(11-9-19)17(22)13-5-2-3-6-14(13)18-16(21)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyRUPDRMZHKDHYIU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 724147) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID724147
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H19N3O2S/c1-19-8-10-20(11-9-19)17(22)13-5-2-3-6-14(13)18-16(21)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyRUPDRMZHKDHYIU-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 724147) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is CN1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RUPDRMZHKDHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19-8-10-20(11-9-19)17(22)13-5-2-3-6-14(13)18-16(21)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 724147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).