3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide

C18H23BrN4O5S — CID 24792866

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C18H23BrN4O5S/c1-3-27-13-5-6-15(28-4-2)14(10-13)23-17(24)7-8-22-29(25,26)16-9-12(19)11-21-18(16)20/h5-6,9-11,22H,3-4,7-8H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyVEWGYRRKCABVDD-UHFFFAOYSA-N
MW487.38 g/mol
LogP2.53
Rot. Bonds10

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide (PubChem CID 24792866) has the molecular formula C18H23BrN4O5S and a molecular weight of 487.38 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
PubChem CID24792866
Molecular FormulaC18H23BrN4O5S
Molecular Weight487.38 g/mol
Exact Mass486.06
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C18H23BrN4O5S/c1-3-27-13-5-6-15(28-4-2)14(10-13)23-17(24)7-8-22-29(25,26)16-9-12(19)11-21-18(16)20/h5-6,9-11,22H,3-4,7-8H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyVEWGYRRKCABVDD-UHFFFAOYSA-N
XLogP2.53
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22516449
2-(4-bromophenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1193437
N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307299
2-Amino-5-bromo-N-{3-[4-(4-methoxyphenyl)piperazin-1-YL]-3-oxopropyl}pyridine-3-sulfonamide
CID 24789930
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(2,4-dimethoxyphenyl)propanamide
CID 24791919
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(3,5-dimethoxyphenyl)propanamide
CID 24791921
2-Amino-5-bromo-N-{3-[4-(2-methoxyphenyl)piperazin-1-YL]-3-oxopropyl}pyridine-3-sulfonamide
CID 24789925
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(2,5-dimethoxyphenyl)propanamide
CID 24791920
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 24792772
2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide
CID 6623892
2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 6623919
2-[[5-bromo-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-5-fluoro-N-methylbenzenesulfonamide
CID 142677201

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide (CID 24792866) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide?
The InChIKey is VEWGYRRKCABVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O5S/c1-3-27-13-5-6-15(28-4-2)14(10-13)23-17(24)7-8-22-29(25,26)16-9-12(19)11-21-18(16)20/h5-6,9-11,22H,3-4,7-8H2,1-2H3,(H2,20,21)(H,23,24).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide has a molecular weight of 487.38 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide is sourced from PubChem (CID 24792866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).