sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide

C25H23N4NaO7S — CID 139630422

IUPACsodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide
SMILESCOC(=O)C[N-]C(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1.[Na+]
InChIInChI=1S/C25H24N4O7S.Na/c1-36-22(30)16-28-25(33)21-12-9-19(15-27-21)24(32)29-37(34,35)20-10-7-18(8-11-20)23(31)26-14-13-17-5-3-2-4-6-17;/h2-12,15H,13-14,16H2,1H3,(H3,26,28,29,31,32,33);/q;+1/p-1
InChIKeyFKVPMLFJKKZZIN-UHFFFAOYSA-M
MW546.54 g/mol
LogP-1.14
Rot. Bonds10

About sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide

sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide (PubChem CID 139630422) has the molecular formula C25H23N4NaO7S and a molecular weight of 546.54 g/mol. Its IUPAC name is sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide.

Molecular Properties

Compound Namesodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide
PubChem CID139630422
Molecular FormulaC25H23N4NaO7S
Molecular Weight546.54 g/mol
Exact Mass546.12
IUPAC Namesodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide
SMILESCOC(=O)C[N-]C(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1.[Na+]
InChIInChI=1S/C25H24N4O7S.Na/c1-36-22(30)16-28-25(33)21-12-9-19(15-27-21)24(32)29-37(34,35)20-10-7-18(8-11-20)23(31)26-14-13-17-5-3-2-4-6-17;/h2-12,15H,13-14,16H2,1H3,(H3,26,28,29,31,32,33);/q;+1/p-1
InChIKeyFKVPMLFJKKZZIN-UHFFFAOYSA-M
XLogP-1.14
TPSA162.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.54
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide with MolForge

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Related Compounds

2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
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
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
(4-methoxyphenyl)methyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928143
2-methylpropyl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54366060
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061

Frequently Asked Questions

What is the IUPAC name of sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide?
The IUPAC name of sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide (CID 139630422) is sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide.
What is the SMILES notation for sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide?
The canonical SMILES for sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide is COC(=O)C[N-]C(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1.[Na+].
What is the InChIKey of sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide?
The InChIKey is FKVPMLFJKKZZIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H24N4O7S.Na/c1-36-22(30)16-28-25(33)21-12-9-19(15-27-21)24(32)29-37(34,35)20-10-7-18(8-11-20)23(31)26-14-13-17-5-3-2-4-6-17;/h2-12,15H,13-14,16H2,1H3,(H3,26,28,29,31,32,33);/q;+1/p-1.
What are the key properties of sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide?
sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide has a molecular weight of 546.54 g/mol, XLogP of -1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-methoxy-2-oxoethyl)-[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]azanide is sourced from PubChem (CID 139630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).