2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide

C20H22Cl2N2O5S — CID 55948179

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-24(9-10-29-18-6-4-3-5-17(18)28-2)20(25)14-11-19(16(22)12-15(14)21)30(26,27)23-13-7-8-13/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyFUELLLBOINDXGG-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.59
Rot. Bonds9

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide (PubChem CID 55948179) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
PubChem CID55948179
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-24(9-10-29-18-6-4-3-5-17(18)28-2)20(25)14-11-19(16(22)12-15(14)21)30(26,27)23-13-7-8-13/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyFUELLLBOINDXGG-UHFFFAOYSA-N
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 17476854
N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
CID 18132099
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55947799
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 55389438
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 19257456
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide (CID 55948179) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide is COc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is FUELLLBOINDXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-24(9-10-29-18-6-4-3-5-17(18)28-2)20(25)14-11-19(16(22)12-15(14)21)30(26,27)23-13-7-8-13/h3-6,11-13,23H,7-10H2,1-2H3.
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 473.38 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55948179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).