2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide

C24H24F2N2O5S — CID 58941274

IUPAC2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cccc2Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C24H24F2N2O5S/c1-15-6-4-7-16(12-18-19(25)8-5-9-20(18)26)24(15)28(14-23(27)29)34(30,31)17-10-11-21(32-2)22(13-17)33-3/h4-11,13H,12,14H2,1-3H3,(H2,27,29)
InChIKeyBLRQIIMXDMMSNW-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.56
Rot. Bonds9

About 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide

2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide (PubChem CID 58941274) has the molecular formula C24H24F2N2O5S and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide.

Molecular Properties

Compound Name2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide
PubChem CID58941274
Molecular FormulaC24H24F2N2O5S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Name2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cccc2Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C24H24F2N2O5S/c1-15-6-4-7-16(12-18-19(25)8-5-9-20(18)26)24(15)28(14-23(27)29)34(30,31)17-10-11-21(32-2)22(13-17)33-3/h4-11,13H,12,14H2,1-3H3,(H2,27,29)
InChIKeyBLRQIIMXDMMSNW-UHFFFAOYSA-N
XLogP3.56
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]acetate
CID 68566353
2-[4-bromo-2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941432
2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide
CID 58941419
N-(2-bromoethyl)-N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68563791
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 58941394
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-N-[2-(methanesulfonamido)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 58941195
N-[2-[(2,6-difluorophenyl)methyl]-4-methylphenyl]-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 68563763
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 58941172
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 53280087
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1118203
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
CID 50895419

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide?
The IUPAC name of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide (CID 58941274) is 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide.
What is the SMILES notation for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide?
The canonical SMILES for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cccc2Cc2c(F)cccc2F)cc1OC.
What is the InChIKey of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide?
The InChIKey is BLRQIIMXDMMSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O5S/c1-15-6-4-7-16(12-18-19(25)8-5-9-20(18)26)24(15)28(14-23(27)29)34(30,31)17-10-11-21(32-2)22(13-17)33-3/h4-11,13H,12,14H2,1-3H3,(H2,27,29).
What are the key properties of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide?
2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide has a molecular weight of 490.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide is sourced from PubChem (CID 58941274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).