5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide

C19H15ClN2O2S — CID 58614931

IUPAC5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C)cn3)c2)s1
InChIInChI=1S/C19H15ClN2O2S/c1-11-3-6-16(21-10-11)14-9-13(4-5-15(14)20)22-19(24)18-8-7-17(25-18)12(2)23/h3-10H,1-2H3,(H,22,24)
InChIKeyKFYAFWFYZXENFX-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.23
Rot. Bonds4

About 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide

5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide (PubChem CID 58614931) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
PubChem CID58614931
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C)cn3)c2)s1
InChIInChI=1S/C19H15ClN2O2S/c1-11-3-6-16(21-10-11)14-9-13(4-5-15(14)20)22-19(24)18-8-7-17(25-18)12(2)23/h3-10H,1-2H3,(H,22,24)
InChIKeyKFYAFWFYZXENFX-UHFFFAOYSA-N
XLogP5.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide (CID 58614931) is 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C)cn3)c2)s1.
What is the InChIKey of 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide?
The InChIKey is KFYAFWFYZXENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-11-3-6-16(21-10-11)14-9-13(4-5-15(14)20)22-19(24)18-8-7-17(25-18)12(2)23/h3-10H,1-2H3,(H,22,24).
What are the key properties of 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide?
5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 58614931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).