N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide

C26H22BrN3O3S — CID 176892877

IUPACN-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C26H22BrN3O3S/c27-22-9-14-25(15-10-22)34(32,33)30-23-11-6-20(7-12-23)21-8-13-24(28-18-21)16-26(31)29-17-19-4-2-1-3-5-19/h1-15,18,30H,16-17H2,(H,29,31)
InChIKeyXAMUULRLHVQPSL-UHFFFAOYSA-N
MW536.45 g/mol
LogP5.17
Rot. Bonds8

About N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide (PubChem CID 176892877) has the molecular formula C26H22BrN3O3S and a molecular weight of 536.45 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide
PubChem CID176892877
Molecular FormulaC26H22BrN3O3S
Molecular Weight536.45 g/mol
Exact Mass535.06
IUPAC NameN-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C26H22BrN3O3S/c27-22-9-14-25(15-10-22)34(32,33)30-23-11-6-20(7-12-23)21-8-13-24(28-18-21)16-26(31)29-17-19-4-2-1-3-5-19/h1-15,18,30H,16-17H2,(H,29,31)
InChIKeyXAMUULRLHVQPSL-UHFFFAOYSA-N
XLogP5.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
5-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]anilino]-5-oxopentanoic acid
CID 176892887
2-[4-(benzenesulfonamido)phenyl]-N-[[4-(2-nitro-1H-imidazol-5-yl)phenyl]methyl]acetamide
CID 177349055
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379298
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
2-[4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid
CID 515148
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide (CID 176892877) is N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide?
The InChIKey is XAMUULRLHVQPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN3O3S/c27-22-9-14-25(15-10-22)34(32,33)30-23-11-6-20(7-12-23)21-8-13-24(28-18-21)16-26(31)29-17-19-4-2-1-3-5-19/h1-15,18,30H,16-17H2,(H,29,31).
What are the key properties of N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide has a molecular weight of 536.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 176892877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).