N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C21H15N3O2S — CID 27990641

IUPACN-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-17-9-2-5-14-7-3-11-22-19(14)17)15-6-1-8-16(13-15)23-21(26)18-10-4-12-27-18/h1-13H,(H,23,26)(H,24,25)
InChIKeyULSDEAHENLQNKE-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.80
Rot. Bonds4

About N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 27990641) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID27990641
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-17-9-2-5-14-7-3-11-22-19(14)17)15-6-1-8-16(13-15)23-21(26)18-10-4-12-27-18/h1-13H,(H,23,26)(H,24,25)
InChIKeyULSDEAHENLQNKE-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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Related Compounds

5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55765466
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 166217861
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 27990641) is N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ULSDEAHENLQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(24-17-9-2-5-14-7-3-11-22-19(14)17)15-6-1-8-16(13-15)23-21(26)18-10-4-12-27-18/h1-13H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(quinolin-8-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-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27990641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).