2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide

C24H24N4O6S — CID 19970509

IUPAC2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCOCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1
InChIInChI=1S/C24H24N4O6S/c1-34-16-27-24(31)21-12-9-19(15-26-21)23(30)28-35(32,33)20-10-7-18(8-11-20)22(29)25-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,29)(H,27,31)(H,28,30)
InChIKeyLDBHWMMCHKSHJC-UHFFFAOYSA-N
MW496.55 g/mol
LogP1.51
Rot. Bonds10

About 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide

2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide (PubChem CID 19970509) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
PubChem CID19970509
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCOCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1
InChIInChI=1S/C24H24N4O6S/c1-34-16-27-24(31)21-12-9-19(15-26-21)23(30)28-35(32,33)20-10-7-18(8-11-20)22(29)25-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,29)(H,27,31)(H,28,30)
InChIKeyLDBHWMMCHKSHJC-UHFFFAOYSA-N
XLogP1.51
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide
CID 139630422
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
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
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446

Frequently Asked Questions

What is the IUPAC name of 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide (CID 19970509) is 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide is COCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The InChIKey is LDBHWMMCHKSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-34-16-27-24(31)21-12-9-19(15-26-21)23(30)28-35(32,33)20-10-7-18(8-11-20)22(29)25-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,29)(H,27,31)(H,28,30).
What are the key properties of 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide has a molecular weight of 496.55 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).