2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide

C16H26N2O4S — CID 100563293

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-6-22-15-10-8-7-9-14(15)18(23(5,20)21)11-16(19)17-13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyBEGBHDCSIPQCFZ-ZDUSSCGKSA-N
MW342.46 g/mol
LogP2.01
Rot. Bonds8

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 100563293) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID100563293
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-6-22-15-10-8-7-9-14(15)18(23(5,20)21)11-16(19)17-13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyBEGBHDCSIPQCFZ-ZDUSSCGKSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 7318338
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571657
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30384478
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43895616
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 100563293) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide is CCOc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is BEGBHDCSIPQCFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-6-22-15-10-8-7-9-14(15)18(23(5,20)21)11-16(19)17-13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 100563293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).