N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C23H29N3O6S — CID 55603366

IUPACN-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C23H29N3O6S/c1-4-26(5-2)33(29,30)19-11-12-21(31-3)20(14-19)25-22(27)15-32-18-8-6-7-17(13-18)24-23(28)16-9-10-16/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXPIYTEMTDHRSQB-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.09
Rot. Bonds11

About N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55603366) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55603366
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C23H29N3O6S/c1-4-26(5-2)33(29,30)19-11-12-21(31-3)20(14-19)25-22(27)15-32-18-8-6-7-17(13-18)24-23(28)16-9-10-16/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXPIYTEMTDHRSQB-UHFFFAOYSA-N
XLogP3.09
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55603366) is N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is XPIYTEMTDHRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-4-26(5-2)33(29,30)19-11-12-21(31-3)20(14-19)25-22(27)15-32-18-8-6-7-17(13-18)24-23(28)16-9-10-16/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55603366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).