2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide

C26H30N2O5S — CID 126398035

IUPAC2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-10-13-24(33-5)25(14-18)34(30,31)28(22-12-11-19(2)20(3)15-22)17-26(29)27-16-21-8-6-7-9-23(21)32-4/h6-15H,16-17H2,1-5H3,(H,27,29)
InChIKeyXCVGVJCVMFKYPD-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.14
Rot. Bonds9

About 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 126398035) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID126398035
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-10-13-24(33-5)25(14-18)34(30,31)28(22-12-11-19(2)20(3)15-22)17-26(29)27-16-21-8-6-7-9-23(21)32-4/h6-15H,16-17H2,1-5H3,(H,27,29)
InChIKeyXCVGVJCVMFKYPD-UHFFFAOYSA-N
XLogP4.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126394594
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126394527
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
N-[(2-methoxyphenyl)methyl]-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 26564448
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874664

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide (CID 126398035) is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is XCVGVJCVMFKYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-18-10-13-24(33-5)25(14-18)34(30,31)28(22-12-11-19(2)20(3)15-22)17-26(29)27-16-21-8-6-7-9-23(21)32-4/h6-15H,16-17H2,1-5H3,(H,27,29).
What are the key properties of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 126398035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).