2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

C20H26N2O5S — CID 100798512

IUPAC2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H26N2O5S/c1-6-22(28(24,25)18-10-11-19(27-5)15(2)12-18)14-20(23)21(3)16-8-7-9-17(13-16)26-4/h7-13H,6,14H2,1-5H3
InChIKeyMABWVQXCDLEDSU-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.69
Rot. Bonds8

About 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100798512) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100798512
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H26N2O5S/c1-6-22(28(24,25)18-10-11-19(27-5)15(2)12-18)14-20(23)21(3)16-8-7-9-17(13-16)26-4/h7-13H,6,14H2,1-5H3
InChIKeyMABWVQXCDLEDSU-UHFFFAOYSA-N
XLogP2.69
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100781281
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 92645560
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797278
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 92645513

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100798512) is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is MABWVQXCDLEDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-22(28(24,25)18-10-11-19(27-5)15(2)12-18)14-20(23)21(3)16-8-7-9-17(13-16)26-4/h7-13H,6,14H2,1-5H3.
What are the key properties of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 406.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100798512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).