2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

C21H27ClN2O5S — CID 4820431

IUPAC2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-11-12-20(29-15(3)4)18(13-16)23-21(25)14-28-19-10-8-7-9-17(19)22/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyPHVLEGXPBIYKDA-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.18
Rot. Bonds10

About 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (PubChem CID 4820431) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
PubChem CID4820431
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-11-12-20(29-15(3)4)18(13-16)23-21(25)14-28-19-10-8-7-9-17(19)22/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyPHVLEGXPBIYKDA-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 55401486
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
CID 26354825
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (CID 4820431) is 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The InChIKey is PHVLEGXPBIYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-11-12-20(29-15(3)4)18(13-16)23-21(25)14-28-19-10-8-7-9-17(19)22/h7-13,15H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide has a molecular weight of 454.98 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is sourced from PubChem (CID 4820431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).