2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide

C23H31N3O5S — CID 24635375

IUPAC2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C
InChIInChI=1S/C23H31N3O5S/c1-6-31-20-10-8-7-9-19(20)22(27)25-21(15(2)3)23(28)24-17-11-13-18(14-12-17)32(29,30)26-16(4)5/h7-16,21,26H,6H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyQWFBKRHLRNKCQH-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.17
Rot. Bonds10

About 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide

2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide (PubChem CID 24635375) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
PubChem CID24635375
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C
InChIInChI=1S/C23H31N3O5S/c1-6-31-20-10-8-7-9-19(20)22(27)25-21(15(2)3)23(28)24-17-11-13-18(14-12-17)32(29,30)26-16(4)5/h7-16,21,26H,6H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyQWFBKRHLRNKCQH-UHFFFAOYSA-N
XLogP3.17
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634723
methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904
N-[(2S)-1-(4-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2555538
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]benzamide
CID 2415620
N-[1-[3-(diethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 24640018
N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
2-(2-phenylethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 19628144
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide (CID 24635375) is 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide?
The InChIKey is QWFBKRHLRNKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-6-31-20-10-8-7-9-19(20)22(27)25-21(15(2)3)23(28)24-17-11-13-18(14-12-17)32(29,30)26-16(4)5/h7-16,21,26H,6H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide?
2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide has a molecular weight of 461.58 g/mol, XLogP of 3.17, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 24635375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).