propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C26H26ClN3O7S — CID 19928241

IUPACpropyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)cn1
InChIInChI=1S/C26H26ClN3O7S/c1-3-14-37-26(33)22-10-6-18(16-29-22)24(31)30-38(34,35)20-8-4-17(5-9-20)12-13-28-25(32)21-15-19(27)7-11-23(21)36-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyQXCLMRPXJZESHT-UHFFFAOYSA-N
MW560.03 g/mol
LogP3.40
Rot. Bonds11

About propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928241) has the molecular formula C26H26ClN3O7S and a molecular weight of 560.03 g/mol. Its IUPAC name is propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928241
Molecular FormulaC26H26ClN3O7S
Molecular Weight560.03 g/mol
Exact Mass559.12
IUPAC Namepropyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)cn1
InChIInChI=1S/C26H26ClN3O7S/c1-3-14-37-26(33)22-10-6-18(16-29-22)24(31)30-38(34,35)20-8-4-17(5-9-20)12-13-28-25(32)21-15-19(27)7-11-23(21)36-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyQXCLMRPXJZESHT-UHFFFAOYSA-N
XLogP3.40
TPSA140.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.03
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

propyl 5-[[4-[2-[(2,5-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928589
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928224
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
5-N-[4-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
CID 19970568
2-[[5-[[4-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl 2-methylpropanoate
CID 19970631
5-chloro-N-[2-[4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 167704694
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
2-methylpropyl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54366060
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928241) is propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)cn1.
What is the InChIKey of propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is QXCLMRPXJZESHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O7S/c1-3-14-37-26(33)22-10-6-18(16-29-22)24(31)30-38(34,35)20-8-4-17(5-9-20)12-13-28-25(32)21-15-19(27)7-11-23(21)36-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 560.03 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).