2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide

C20H26N2O5S — CID 100797278

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C20H26N2O5S/c1-6-27-19-12-11-18(13-15(19)2)28(24,25)21(3)14-20(23)22(4)16-7-9-17(26-5)10-8-16/h7-13H,6,14H2,1-5H3
InChIKeyNBJCWTYYWSYYHJ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.69
Rot. Bonds8

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100797278) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100797278
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C20H26N2O5S/c1-6-27-19-12-11-18(13-15(19)2)28(24,25)21(3)14-20(23)22(4)16-7-9-17(26-5)10-8-16/h7-13H,6,14H2,1-5H3
InChIKeyNBJCWTYYWSYYHJ-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-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794488
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 100794276
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-[2-(azepan-1-yl)-2-oxoethyl]-4-ethoxy-N,3-dimethylbenzenesulfonamide
CID 45373770
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100798512
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide (CID 100797278) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(OC)cc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is NBJCWTYYWSYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-27-19-12-11-18(13-15(19)2)28(24,25)21(3)14-20(23)22(4)16-7-9-17(26-5)10-8-16/h7-13H,6,14H2,1-5H3.
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-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-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100797278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).