2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

C18H22N2O5S — CID 22304063

IUPAC2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C)c2)c(S(C)(=O)=O)c1OC
InChIInChI=1S/C18H22N2O5S/c1-12-6-5-7-13(10-12)20-16(21)11-19-14-8-9-15(24-2)17(25-3)18(14)26(4,22)23/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyMWWNFLHBLXGOAU-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.47
Rot. Bonds7

About 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 22304063) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID22304063
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C)c2)c(S(C)(=O)=O)c1OC
InChIInChI=1S/C18H22N2O5S/c1-12-6-5-7-13(10-12)20-16(21)11-19-14-8-9-15(24-2)17(25-3)18(14)26(4,22)23/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyMWWNFLHBLXGOAU-UHFFFAOYSA-N
XLogP2.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377
N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide
CID 22304441
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 61061796
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 22304063) is 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is COc1ccc(NCC(=O)Nc2cccc(C)c2)c(S(C)(=O)=O)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is MWWNFLHBLXGOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-6-5-7-13(10-12)20-16(21)11-19-14-8-9-15(24-2)17(25-3)18(14)26(4,22)23/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 22304063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).