N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide

C26H26BrN5O5S — CID 10145390

IUPACN-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
InChIKeyHCWQCNYFXDFIFZ-UHFFFAOYSA-N
MW600.50 g/mol
LogP2.91
Rot. Bonds8

About N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide

N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide (PubChem CID 10145390) has the molecular formula C26H26BrN5O5S and a molecular weight of 600.50 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
PubChem CID10145390
Molecular FormulaC26H26BrN5O5S
Molecular Weight600.50 g/mol
Exact Mass599.08
IUPAC NameN-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
InChIKeyHCWQCNYFXDFIFZ-UHFFFAOYSA-N
XLogP2.91
TPSA151.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.50
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 44393197
N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393410
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
CID 9933877
2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 9959268
2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bromo-pyridin-2-ylcarbamoyl)-ethyl]-amide
CID 10185508
N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10189176
N'-(5-bromo-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
CID 10189235
2''-Sulfamoyl-biphenyl-4-carboxylic acid [5-amino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 10303308
2''-Sulfamoyl-biphenyl-4-carboxylic acid [4-acetylamino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 18727777
2''-Sulfamoyl-biphenyl-4-carboxylic acid [4-amino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 22596430
N'-(5-bromo-2-pyridinyl)-N-[4-(2-sulfamoylphenyl)phenyl]butanediamide
CID 44393271
4-[(5-Bromo-2-pyridinyl)amino]-4-oxo-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanoic acid
CID 10119932

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide (CID 10145390) is N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is HCWQCNYFXDFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33).
What are the key properties of N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide?
N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 600.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10145390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).