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

C24H28N4O7S — CID 19970699

IUPAC2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1
InChIInChI=1S/C24H28N4O7S/c29-21(30)15-27-24(33)20-11-8-18(14-26-20)23(32)28-36(34,35)19-9-6-16(7-10-19)12-13-25-22(31)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,31)(H,27,33)(H,28,32)(H,29,30)
InChIKeyOPQKXEVSJRVYMF-UHFFFAOYSA-N
MW516.58 g/mol
LogP1.25
Rot. Bonds10

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

2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 19970699) has the molecular formula C24H28N4O7S and a molecular weight of 516.58 g/mol. Its IUPAC name is 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID19970699
Molecular FormulaC24H28N4O7S
Molecular Weight516.58 g/mol
Exact Mass516.17
IUPAC Name2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1
InChIInChI=1S/C24H28N4O7S/c29-21(30)15-27-24(33)20-11-8-18(14-26-20)23(32)28-36(34,35)19-9-6-16(7-10-19)12-13-25-22(31)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,31)(H,27,33)(H,28,32)(H,29,30)
InChIKeyOPQKXEVSJRVYMF-UHFFFAOYSA-N
XLogP1.25
TPSA171.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641
2-[[5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970653
5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928229
5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
CID 19970523
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
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-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928433
2-[[5-[[4-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl 2-methylpropanoate
CID 19970631

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid (CID 19970699) is 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1.
What is the InChIKey of 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is OPQKXEVSJRVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O7S/c29-21(30)15-27-24(33)20-11-8-18(14-26-20)23(32)28-36(34,35)19-9-6-16(7-10-19)12-13-25-22(31)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,31)(H,27,33)(H,28,32)(H,29,30).
What are the key properties of 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid?
2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 516.58 g/mol, XLogP of 1.25, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-[2-(cyclohexanecarbonylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19970699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).