3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide

C16H18BrN3O3S — CID 47075434

IUPAC3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2C)n1
InChIInChI=1S/C16H18BrN3O3S/c1-11-6-7-13(17)10-14(11)24(22,23)18-9-8-16(21)20-15-5-3-4-12(2)19-15/h3-7,10,18H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyPSLZRYGDONZYNC-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.77
Rot. Bonds6

About 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 47075434) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID47075434
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC Name3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2C)n1
InChIInChI=1S/C16H18BrN3O3S/c1-11-6-7-13(17)10-14(11)24(22,23)18-9-8-16(21)20-15-5-3-4-12(2)19-15/h3-7,10,18H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyPSLZRYGDONZYNC-UHFFFAOYSA-N
XLogP2.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide 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

3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 26086022
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 8798603
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide (CID 47075434) is 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2C)n1.
What is the InChIKey of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is PSLZRYGDONZYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-11-6-7-13(17)10-14(11)24(22,23)18-9-8-16(21)20-15-5-3-4-12(2)19-15/h3-7,10,18H,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 412.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 47075434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).