5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide

C23H29ClN4O7S — CID 19970338

IUPAC5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
SMILESCCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCOCC)nc2)c(Cl)c1
InChIInChI=1S/C23H29ClN4O7S/c1-3-34-12-5-10-25-21(29)16-7-9-20(18(24)14-16)36(32,33)28-22(30)17-6-8-19(27-15-17)23(31)26-11-13-35-4-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,29)(H,26,31)(H,28,30)
InChIKeyBSLQFVFGDPZDGZ-UHFFFAOYSA-N
MW541.03 g/mol
LogP1.78
Rot. Bonds14

About 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide

5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide (PubChem CID 19970338) has the molecular formula C23H29ClN4O7S and a molecular weight of 541.03 g/mol. Its IUPAC name is 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
PubChem CID19970338
Molecular FormulaC23H29ClN4O7S
Molecular Weight541.03 g/mol
Exact Mass540.14
IUPAC Name5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
SMILESCCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCOCC)nc2)c(Cl)c1
InChIInChI=1S/C23H29ClN4O7S/c1-3-34-12-5-10-25-21(29)16-7-9-20(18(24)14-16)36(32,33)28-22(30)17-6-8-19(27-15-17)23(31)26-11-13-35-4-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,29)(H,26,31)(H,28,30)
InChIKeyBSLQFVFGDPZDGZ-UHFFFAOYSA-N
XLogP1.78
TPSA152.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate
CID 70214053
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
benzyl 2-[[5-[[4-(2-ethoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970466
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
[5-[[4-chloro-3-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749525
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide (CID 19970338) is 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide is CCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCOCC)nc2)c(Cl)c1.
What is the InChIKey of 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide?
The InChIKey is BSLQFVFGDPZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O7S/c1-3-34-12-5-10-25-21(29)16-7-9-20(18(24)14-16)36(32,33)28-22(30)17-6-8-19(27-15-17)23(31)26-11-13-35-4-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,29)(H,26,31)(H,28,30).
What are the key properties of 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide?
5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide has a molecular weight of 541.03 g/mol, XLogP of 1.78, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).