N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide

C23H28ClN3O5S — CID 55329981

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H28ClN3O5S/c1-16-7-9-18(33(30,31)27-11-5-4-6-12-27)14-19(16)23(29)26(2)15-22(28)25-20-13-17(24)8-10-21(20)32-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,28)
InChIKeyGHYVWJVOELQHJM-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55329981) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55329981
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H28ClN3O5S/c1-16-7-9-18(33(30,31)27-11-5-4-6-12-27)14-19(16)23(29)26(2)15-22(28)25-20-13-17(24)8-10-21(20)32-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,28)
InChIKeyGHYVWJVOELQHJM-UHFFFAOYSA-N
XLogP3.54
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2533414
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55597649
N-(5-chloro-2-methoxyphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2656153
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 18890955
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557205
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92683960
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893845

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide (CID 55329981) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GHYVWJVOELQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-16-7-9-18(33(30,31)27-11-5-4-6-12-27)14-19(16)23(29)26(2)15-22(28)25-20-13-17(24)8-10-21(20)32-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 494.01 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55329981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).