5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide

C21H16N4O2S — CID 78846872

IUPAC5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc3cccnc23)s1
InChIInChI=1S/C21H16N4O2S/c26-20(24-16-10-4-6-14-7-5-13-22-19(14)16)17-11-12-18(28-17)25-21(27)23-15-8-2-1-3-9-15/h1-13H,(H,24,26)(H2,23,25,27)
InChIKeyIONSZBJNDXEIHO-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.19
Rot. Bonds4

About 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide (PubChem CID 78846872) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide
PubChem CID78846872
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc3cccnc23)s1
InChIInChI=1S/C21H16N4O2S/c26-20(24-16-10-4-6-14-7-5-13-22-19(14)16)17-11-12-18(28-17)25-21(27)23-15-8-2-1-3-9-15/h1-13H,(H,24,26)(H2,23,25,27)
InChIKeyIONSZBJNDXEIHO-UHFFFAOYSA-N
XLogP5.19
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 78861256
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide (CID 78846872) is 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc3cccnc23)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide?
The InChIKey is IONSZBJNDXEIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-20(24-16-10-4-6-14-7-5-13-22-19(14)16)17-11-12-18(28-17)25-21(27)23-15-8-2-1-3-9-15/h1-13H,(H,24,26)(H2,23,25,27).
What are the key properties of 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide is sourced from PubChem (CID 78846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).