5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide

C22H16ClN3O2S — CID 55832112

IUPAC5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C22H16ClN3O2S/c1-13-10-19(26-21(27)16-7-3-4-8-17(16)23)29-20(13)22(28)25-15-11-14-6-2-5-9-18(14)24-12-15/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyMLQBPBAOKZSWAT-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.76
Rot. Bonds4

About 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide (PubChem CID 55832112) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
PubChem CID55832112
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C22H16ClN3O2S/c1-13-10-19(26-21(27)16-7-3-4-8-17(16)23)29-20(13)22(28)25-15-11-14-6-2-5-9-18(14)24-12-15/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyMLQBPBAOKZSWAT-UHFFFAOYSA-N
XLogP5.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55826865
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
2-methyl-3-nitro-N-quinolin-3-ylbenzamide
CID 4079471
N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
2-chloro-N-[5-[[(4-ethylbenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55788870
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide (CID 55832112) is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The InChIKey is MLQBPBAOKZSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c1-13-10-19(26-21(27)16-7-3-4-8-17(16)23)29-20(13)22(28)25-15-11-14-6-2-5-9-18(14)24-12-15/h2-12H,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 55832112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).