N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C21H15N3O2S — CID 25343670

IUPACN-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-17-11-14-5-1-2-8-18(14)22-13-17)15-6-3-7-16(12-15)23-21(26)19-9-4-10-27-19/h1-13H,(H,23,26)(H,24,25)
InChIKeyPKNKHTWCVLECJC-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.80
Rot. Bonds4

About N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 25343670) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID25343670
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-17-11-14-5-1-2-8-18(14)22-13-17)15-6-3-7-16(12-15)23-21(26)19-9-4-10-27-19/h1-13H,(H,23,26)(H,24,25)
InChIKeyPKNKHTWCVLECJC-UHFFFAOYSA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 25343670) is N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cnc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PKNKHTWCVLECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(24-17-11-14-5-1-2-8-18(14)22-13-17)15-6-3-7-16(12-15)23-21(26)19-9-4-10-27-19/h1-13H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 25343670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).