2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide

C25H30N4O4S — CID 131856754

IUPAC2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)Nc2ncc(CC(C)C)cn2)cc1
InChIInChI=1S/C25H30N4O4S/c1-4-33-23-8-6-5-7-22(23)24(30)26-14-13-19-9-11-21(12-10-19)34(31,32)29-25-27-16-20(17-28-25)15-18(2)3/h5-12,16-18H,4,13-15H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyWPDXLRZYXHMUPH-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.85
Rot. Bonds11

About 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide

2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide (PubChem CID 131856754) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide
PubChem CID131856754
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)Nc2ncc(CC(C)C)cn2)cc1
InChIInChI=1S/C25H30N4O4S/c1-4-33-23-8-6-5-7-22(23)24(30)26-14-13-19-9-11-21(12-10-19)34(31,32)29-25-27-16-20(17-28-25)15-18(2)3/h5-12,16-18H,4,13-15H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyWPDXLRZYXHMUPH-UHFFFAOYSA-N
XLogP3.85
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[2-[(2-prop-2-enoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70623147
N-(3-aminobutyl)-2-ethoxybenzamide
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2-ethoxy-N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2712700
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(2-benzylsulfonylethyl)-2-ethoxybenzamide
CID 47029439
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 24635375
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide (CID 131856754) is 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)Nc2ncc(CC(C)C)cn2)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is WPDXLRZYXHMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-33-23-8-6-5-7-22(23)24(30)26-14-13-19-9-11-21(12-10-19)34(31,32)29-25-27-16-20(17-28-25)15-18(2)3/h5-12,16-18H,4,13-15H2,1-3H3,(H,26,30)(H,27,28,29).
What are the key properties of 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide?
2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 131856754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).