N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide

C25H28N2O5S — CID 22304368

IUPACN-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
SMILESCOc1cc(NCC(=O)N(C)Cc2ccccc2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-18-10-12-21(13-11-18)33(29,30)23-15-20(31-3)14-22(25(23)32-4)26-16-24(28)27(2)17-19-8-6-5-7-9-19/h5-15,26H,16-17H2,1-4H3
InChIKeyBLHDJWMYYKTUIR-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.92
Rot. Bonds9

About N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide

N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide (PubChem CID 22304368) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
PubChem CID22304368
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
SMILESCOc1cc(NCC(=O)N(C)Cc2ccccc2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-18-10-12-21(13-11-18)33(29,30)23-15-20(31-3)14-22(25(23)32-4)26-16-24(28)27(2)17-19-8-6-5-7-9-19/h5-15,26H,16-17H2,1-4H3
InChIKeyBLHDJWMYYKTUIR-UHFFFAOYSA-N
XLogP3.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22306767
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55764756
N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
CID 112992445
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide
CID 22304966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide (CID 22304368) is N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide is COc1cc(NCC(=O)N(C)Cc2ccccc2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The InChIKey is BLHDJWMYYKTUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-10-12-21(13-11-18)33(29,30)23-15-20(31-3)14-22(25(23)32-4)26-16-24(28)27(2)17-19-8-6-5-7-9-19/h5-15,26H,16-17H2,1-4H3.
What are the key properties of N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide has a molecular weight of 468.58 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide is sourced from PubChem (CID 22304368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).