N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

C22H22ClN3O5S — CID 68567139

IUPACN-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2ccccn2)cc1OC
InChIInChI=1S/C22H22ClN3O5S/c1-30-20-9-7-18(13-21(20)31-2)32(28,29)25-14-22(27)26-19-8-6-16(23)11-15(19)12-17-5-3-4-10-24-17/h3-11,13,25H,12,14H2,1-2H3,(H,26,27)
InChIKeyLGMDJTZAXDFZOU-UHFFFAOYSA-N
MW475.95 g/mol
LogP3.26
Rot. Bonds9

About N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (PubChem CID 68567139) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
PubChem CID68567139
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC NameN-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2ccccn2)cc1OC
InChIInChI=1S/C22H22ClN3O5S/c1-30-20-9-7-18(13-21(20)31-2)32(28,29)25-14-22(27)26-19-8-6-16(23)11-15(19)12-17-5-3-4-10-24-17/h3-11,13,25H,12,14H2,1-2H3,(H,26,27)
InChIKeyLGMDJTZAXDFZOU-UHFFFAOYSA-N
XLogP3.26
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567982
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-[(2,4,5-trimethoxyphenyl)sulfonylamino]acetamide
CID 68569306
N-[4-chloro-2-[hydroxy(thiophen-2-yl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68570025
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567259
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
CID 68567323
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 68566142
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (CID 68567139) is N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2Cc2ccccn2)cc1OC.
What is the InChIKey of N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is LGMDJTZAXDFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-30-20-9-7-18(13-21(20)31-2)32(28,29)25-14-22(27)26-19-8-6-16(23)11-15(19)12-17-5-3-4-10-24-17/h3-11,13,25H,12,14H2,1-2H3,(H,26,27).
What are the key properties of N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 475.95 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 68567139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).