2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide

C20H26N2O4S — CID 100781281

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-6-22(27(24,25)19-12-15(2)10-11-16(19)3)14-20(23)21(4)17-8-7-9-18(13-17)26-5/h7-13H,6,14H2,1-5H3
InChIKeyGGJAHVRHUHJGCJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.99
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100781281) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100781281
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-6-22(27(24,25)19-12-15(2)10-11-16(19)3)14-20(23)21(4)17-8-7-9-18(13-17)26-5/h7-13H,6,14H2,1-5H3
InChIKeyGGJAHVRHUHJGCJ-UHFFFAOYSA-N
XLogP2.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100798512
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100780406
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100781281) is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide is CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is GGJAHVRHUHJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-6-22(27(24,25)19-12-15(2)10-11-16(19)3)14-20(23)21(4)17-8-7-9-18(13-17)26-5/h7-13H,6,14H2,1-5H3.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100781281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).