4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide

C25H26Br2N2O4S — CID 166348114

IUPAC4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C25H26Br2N2O4S/c1-4-33-22-14-11-20(27)15-23(22)34(31,32)29-21-12-7-18(8-13-21)25(30)28-24(16(2)3)17-5-9-19(26)10-6-17/h5-16,24,29H,4H2,1-3H3,(H,28,30)
InChIKeyANIKBLJWQVBEIM-UHFFFAOYSA-N
MW610.37 g/mol
LogP6.54
Rot. Bonds9

About 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide

4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide (PubChem CID 166348114) has the molecular formula C25H26Br2N2O4S and a molecular weight of 610.37 g/mol. Its IUPAC name is 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
PubChem CID166348114
Molecular FormulaC25H26Br2N2O4S
Molecular Weight610.37 g/mol
Exact Mass608.00
IUPAC Name4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C25H26Br2N2O4S/c1-4-33-22-14-11-20(27)15-23(22)34(31,32)29-21-12-7-18(8-13-21)25(30)28-24(16(2)3)17-5-9-19(26)10-6-17/h5-16,24,29H,4H2,1-3H3,(H,28,30)
InChIKeyANIKBLJWQVBEIM-UHFFFAOYSA-N
XLogP6.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.37
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
1-[[4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 98396251
[2-(cycloheptylamino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate
CID 4107437
4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 46649958

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide (CID 166348114) is 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(Br)cc2)C(C)C)cc1.
What is the InChIKey of 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide?
The InChIKey is ANIKBLJWQVBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Br2N2O4S/c1-4-33-22-14-11-20(27)15-23(22)34(31,32)29-21-12-7-18(8-13-21)25(30)28-24(16(2)3)17-5-9-19(26)10-6-17/h5-16,24,29H,4H2,1-3H3,(H,28,30).
What are the key properties of 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide?
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide has a molecular weight of 610.37 g/mol, XLogP of 6.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 166348114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).