2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid

C25H24N4O7S — CID 19970641

IUPAC2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C25H24N4O7S/c30-22(14-18-4-2-1-3-5-18)26-13-12-17-6-9-20(10-7-17)37(35,36)29-24(33)19-8-11-21(27-15-19)25(34)28-16-23(31)32/h1-11,15H,12-14,16H2,(H,26,30)(H,28,34)(H,29,33)(H,31,32)
InChIKeyBQVWUHLVOZEKGY-UHFFFAOYSA-N
MW524.56 g/mol
LogP0.92
Rot. Bonds11

About 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid

2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 19970641) has the molecular formula C25H24N4O7S and a molecular weight of 524.56 g/mol. Its IUPAC name is 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID19970641
Molecular FormulaC25H24N4O7S
Molecular Weight524.56 g/mol
Exact Mass524.14
IUPAC Name2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C25H24N4O7S/c30-22(14-18-4-2-1-3-5-18)26-13-12-17-6-9-20(10-7-17)37(35,36)29-24(33)19-8-11-21(27-15-19)25(34)28-16-23(31)32/h1-11,15H,12-14,16H2,(H,26,30)(H,28,34)(H,29,33)(H,31,32)
InChIKeyBQVWUHLVOZEKGY-UHFFFAOYSA-N
XLogP0.92
TPSA171.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.56
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970653
propan-2-yl 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712719
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970699
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749385
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
(4-methoxyphenyl)methyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928143
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid (CID 19970641) is 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1.
What is the InChIKey of 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is BQVWUHLVOZEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7S/c30-22(14-18-4-2-1-3-5-18)26-13-12-17-6-9-20(10-7-17)37(35,36)29-24(33)19-8-11-21(27-15-19)25(34)28-16-23(31)32/h1-11,15H,12-14,16H2,(H,26,30)(H,28,34)(H,29,33)(H,31,32).
What are the key properties of 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 524.56 g/mol, XLogP of 0.92, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19970641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).