N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

C17H24ClN3O5S — CID 55556659

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H24ClN3O5S/c1-20(17(23)12-5-4-8-21(10-12)27(3,24)25)11-16(22)19-14-9-13(18)6-7-15(14)26-2/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,19,22)
InChIKeyKEODHBMNTVUDJV-UHFFFAOYSA-N
MW417.92 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55556659) has the molecular formula C17H24ClN3O5S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55556659
Molecular FormulaC17H24ClN3O5S
Molecular Weight417.92 g/mol
Exact Mass417.11
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H24ClN3O5S/c1-20(17(23)12-5-4-8-21(10-12)27(3,24)25)11-16(22)19-14-9-13(18)6-7-15(14)26-2/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,19,22)
InChIKeyKEODHBMNTVUDJV-UHFFFAOYSA-N
XLogP1.42
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55597649
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
(3S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125049667
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 9317785
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580904
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 86897328
1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
CID 5221432
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
(3S)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7860754

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (CID 55556659) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is KEODHBMNTVUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5S/c1-20(17(23)12-5-4-8-21(10-12)27(3,24)25)11-16(22)19-14-9-13(18)6-7-15(14)26-2/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 1.42, 6 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-methyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55556659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).