2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide

C24H26N2O5S — CID 100796962

IUPAC2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-10-15-22(31-4)23(16-18)32(28,29)26(20-11-13-21(30-3)14-12-20)17-24(27)25(2)19-8-6-5-7-9-19/h5-16H,17H2,1-4H3
InChIKeyIMSOTCDQBXYHRE-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.87
Rot. Bonds8

About 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide

2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide (PubChem CID 100796962) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
PubChem CID100796962
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-10-15-22(31-4)23(16-18)32(28,29)26(20-11-13-21(30-3)14-12-20)17-24(27)25(2)19-8-6-5-7-9-19/h5-16H,17H2,1-4H3
InChIKeyIMSOTCDQBXYHRE-UHFFFAOYSA-N
XLogP3.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797108
2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylbenzenesulfonamide
CID 126391031
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100796116
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28548002
2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2981959
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 2971614
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide (CID 100796962) is 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide is COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide?
The InChIKey is IMSOTCDQBXYHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-10-15-22(31-4)23(16-18)32(28,29)26(20-11-13-21(30-3)14-12-20)17-24(27)25(2)19-8-6-5-7-9-19/h5-16H,17H2,1-4H3.
What are the key properties of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide?
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide has a molecular weight of 454.55 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 100796962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).