N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide

C24H23Cl3N2O5S — CID 69223867

IUPACN-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(C)c2ccc(Cl)cc2Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C24H23Cl3N2O5S/c1-29(21-9-7-16(25)11-15(21)12-18-19(26)5-4-6-20(18)27)24(30)14-28-35(31,32)17-8-10-22(33-2)23(13-17)34-3/h4-11,13,28H,12,14H2,1-3H3
InChIKeyPXMYEIWCFAINSX-UHFFFAOYSA-N
MW557.88 g/mol
LogP5.20
Rot. Bonds9

About N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide

N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 69223867) has the molecular formula C24H23Cl3N2O5S and a molecular weight of 557.88 g/mol. Its IUPAC name is N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide
PubChem CID69223867
Molecular FormulaC24H23Cl3N2O5S
Molecular Weight557.88 g/mol
Exact Mass556.04
IUPAC NameN-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(C)c2ccc(Cl)cc2Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C24H23Cl3N2O5S/c1-29(21-9-7-16(25)11-15(21)12-18-19(26)5-4-6-20(18)27)24(30)14-28-35(31,32)17-8-10-22(33-2)23(13-17)34-3/h4-11,13,28H,12,14H2,1-3H3
InChIKeyPXMYEIWCFAINSX-UHFFFAOYSA-N
XLogP5.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567982
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-N-[2-(methanesulfonamido)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 58941195
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
CID 112996961
N-(2-bromoethyl)-N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68563791
2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylbutanamide
CID 132698630
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548694
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 58941394
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-[(2,4,5-trimethoxyphenyl)sulfonylamino]acetamide
CID 68569306

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide (CID 69223867) is N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide is COc1ccc(S(=O)(=O)NCC(=O)N(C)c2ccc(Cl)cc2Cc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is PXMYEIWCFAINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O5S/c1-29(21-9-7-16(25)11-15(21)12-18-19(26)5-4-6-20(18)27)24(30)14-28-35(31,32)17-8-10-22(33-2)23(13-17)34-3/h4-11,13,28H,12,14H2,1-3H3.
What are the key properties of N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide?
N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 557.88 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2,6-dichlorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 69223867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).