2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide

C15H24N2O4S — CID 30256331

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
SMILESCCOc1cccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-5-16(6-2)15(18)12-17(22(4,19)20)13-9-8-10-14(11-13)21-7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyQWCVUTNQGLGQSF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.72
Rot. Bonds8

About 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide (PubChem CID 30256331) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
PubChem CID30256331
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
SMILESCCOc1cccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-5-16(6-2)15(18)12-17(22(4,19)20)13-9-8-10-14(11-13)21-7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyQWCVUTNQGLGQSF-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271635
methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519
2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43901752
N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30264909

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide (CID 30256331) is 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide is CCOc1cccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide?
The InChIKey is QWCVUTNQGLGQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-16(6-2)15(18)12-17(22(4,19)20)13-9-8-10-14(11-13)21-7-3/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide has a molecular weight of 328.43 g/mol, XLogP of 1.72, 8 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,N-diethylacetamide is sourced from PubChem (CID 30256331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).