2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide

C18H22N2O4S — CID 30272380

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
SMILESCCOc1cccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-12-8-11-16(13-17)20(25(3,22)23)14-18(21)19(2)15-9-6-5-7-10-15/h5-13H,4,14H2,1-3H3
InChIKeyMXOPSVITFGAVOH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide (PubChem CID 30272380) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
PubChem CID30272380
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
SMILESCCOc1cccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-12-8-11-16(13-17)20(25(3,22)23)14-18(21)19(2)15-9-6-5-7-10-15/h5-13H,4,14H2,1-3H3
InChIKeyMXOPSVITFGAVOH-UHFFFAOYSA-N
XLogP2.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide (CID 30272380) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide is CCOc1cccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide?
The InChIKey is MXOPSVITFGAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-12-8-11-16(13-17)20(25(3,22)23)14-18(21)19(2)15-9-6-5-7-10-15/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide has a molecular weight of 362.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 30272380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).