3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide

C26H26Cl2N2O7S — CID 70999833

IUPAC3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2c(OC)cc(CC(C)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H26Cl2N2O7S/c1-5-29-26(32)17-6-8-21(20(13-17)30-38(33,34)24-9-7-18(27)14-19(24)28)37-25-22(35-3)11-16(10-15(2)31)12-23(25)36-4/h6-9,11-14,30H,5,10H2,1-4H3,(H,29,32)
InChIKeyJYHIDTLLWRHNAD-UHFFFAOYSA-N
MW581.47 g/mol
LogP5.48
Rot. Bonds11

About 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide

3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide (PubChem CID 70999833) has the molecular formula C26H26Cl2N2O7S and a molecular weight of 581.47 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
PubChem CID70999833
Molecular FormulaC26H26Cl2N2O7S
Molecular Weight581.47 g/mol
Exact Mass580.08
IUPAC Name3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2c(OC)cc(CC(C)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H26Cl2N2O7S/c1-5-29-26(32)17-6-8-21(20(13-17)30-38(33,34)24-9-7-18(27)14-19(24)28)37-25-22(35-3)11-16(10-15(2)31)12-23(25)36-4/h6-9,11-14,30H,5,10H2,1-4H3,(H,29,32)
InChIKeyJYHIDTLLWRHNAD-UHFFFAOYSA-N
XLogP5.48
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
CID 59644684
2-[4-[4-(cyclobutylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
CID 45486030
N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 2110113
2-[3-chloro-4-[4-(cyclopropylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 57403988
2-[4-[2-[(2,4-dichlorophenyl)sulfonyl-methylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
CID 59644765
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 59066721
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide (CID 70999833) is 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide is CCNC(=O)c1ccc(Oc2c(OC)cc(CC(C)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide?
The InChIKey is JYHIDTLLWRHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O7S/c1-5-29-26(32)17-6-8-21(20(13-17)30-38(33,34)24-9-7-18(27)14-19(24)28)37-25-22(35-3)11-16(10-15(2)31)12-23(25)36-4/h6-9,11-14,30H,5,10H2,1-4H3,(H,29,32).
What are the key properties of 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide?
3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide has a molecular weight of 581.47 g/mol, XLogP of 5.48, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide is sourced from PubChem (CID 70999833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).