N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C21H28N2O4S — CID 3139202

IUPACN-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-17(4)22-21(24)15-23(19-9-7-8-10-20(19)27-6-2)28(25,26)18-13-11-16(3)12-14-18/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyGLCNVBAPDRXTRL-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.50
Rot. Bonds9

About N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 3139202) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID3139202
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-17(4)22-21(24)15-23(19-9-7-8-10-20(19)27-6-2)28(25,26)18-13-11-16(3)12-14-18/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyGLCNVBAPDRXTRL-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
N-[(2S)-butan-2-yl]-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126121860
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125079989

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 3139202) is N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is GLCNVBAPDRXTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-17(4)22-21(24)15-23(19-9-7-8-10-20(19)27-6-2)28(25,26)18-13-11-16(3)12-14-18/h7-14,17H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 3139202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).