2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide

C16H19BrN4O5S — CID 22516449

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC
InChIInChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)
InChIKeyMICNYUJMEYAOJU-UHFFFAOYSA-N
MW459.32 g/mol
LogP1.70
Rot. Bonds7

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 22516449) has the molecular formula C16H19BrN4O5S and a molecular weight of 459.32 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID22516449
Molecular FormulaC16H19BrN4O5S
Molecular Weight459.32 g/mol
Exact Mass458.03
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC
InChIInChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)
InChIKeyMICNYUJMEYAOJU-UHFFFAOYSA-N
XLogP1.70
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~-[(2-Amino-5-Bromopyridin-3-Yl)sulfonyl]-N-(4-Methoxyphenyl)-N~2~-Methylglycinamide
CID 22516452
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(3-chloro-4-methoxy-phenyl)acetamide
CID 22516469
N-(5-bromo-2-pyridinyl)-N'-(3,4-dimethoxyphenyl)urea
CID 1298055
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 2998453
N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
CID 4836019
N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4840625
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-(2,5-diethoxyphenyl)propanamide
CID 24792866
2-[Benzenesulfonyl-(3,4-dimethoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 2280503
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(3,5-dimethoxyphenyl)propanamide
CID 24791921
N-(5-bromo-2-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 156011591
2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515825

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide (CID 22516449) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is MICNYUJMEYAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 459.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 22516449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).