2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide

C20H19ClN2O4S — CID 44569456

IUPAC2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4S/c1-20(2,28(25,26)18-9-8-15(27-3)11-16(18)21)19(24)23-14-10-13-6-4-5-7-17(13)22-12-14/h4-12H,1-3H3,(H,23,24)
InChIKeyRAEOAJBOVOPUDI-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.09
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide

2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide (PubChem CID 44569456) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
PubChem CID44569456
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4S/c1-20(2,28(25,26)18-9-8-15(27-3)11-16(18)21)19(24)23-14-10-13-6-4-5-7-17(13)22-12-14/h4-12H,1-3H3,(H,23,24)
InChIKeyRAEOAJBOVOPUDI-UHFFFAOYSA-N
XLogP4.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide (CID 44569456) is 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide is COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The InChIKey is RAEOAJBOVOPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-20(2,28(25,26)18-9-8-15(27-3)11-16(18)21)19(24)23-14-10-13-6-4-5-7-17(13)22-12-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide has a molecular weight of 418.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 44569456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).