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

C18H19N3O3S — CID 17479027

IUPACN-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C18H19N3O3S/c1-13(22)20-8-10-21(11-9-20)18(24)14-4-6-15(7-5-14)19-17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyRKFUVFJCWPMWNA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.30
Rot. Bonds3

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

N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 17479027) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID17479027
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C18H19N3O3S/c1-13(22)20-8-10-21(11-9-20)18(24)14-4-6-15(7-5-14)19-17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyRKFUVFJCWPMWNA-UHFFFAOYSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 17479027) is N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RKFUVFJCWPMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(22)20-8-10-21(11-9-20)18(24)14-4-6-15(7-5-14)19-17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,23).
What are the key properties of N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17479027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).