2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C21H27ClN2O6S — CID 2968274

IUPAC2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O6S/c1-14(2)24-31(26,27)16-6-8-18(17(22)12-16)30-13-21(25)23-10-9-15-5-7-19(28-3)20(11-15)29-4/h5-8,11-12,14,24H,9-10,13H2,1-4H3,(H,23,25)
InChIKeyPBYWRWXKWVJRDE-UHFFFAOYSA-N
MW470.98 g/mol
LogP2.78
Rot. Bonds11

About 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2968274) has the molecular formula C21H27ClN2O6S and a molecular weight of 470.98 g/mol. Its IUPAC name is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2968274
Molecular FormulaC21H27ClN2O6S
Molecular Weight470.98 g/mol
Exact Mass470.13
IUPAC Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O6S/c1-14(2)24-31(26,27)16-6-8-18(17(22)12-16)30-13-21(25)23-10-9-15-5-7-19(28-3)20(11-15)29-4/h5-8,11-12,14,24H,9-10,13H2,1-4H3,(H,23,25)
InChIKeyPBYWRWXKWVJRDE-UHFFFAOYSA-N
XLogP2.78
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}acetamide
CID 1254815
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2557119
2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2963999
2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2964000
3-chloro-4-[2-(4-morpholinyl)-2-oxoethoxy]-N-(1-phenylethyl)benzenesulfonamide
CID 2967338
2-(2-chlorophenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 4878725
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3,4-dimethoxyphenethyl)oxalamide
CID 16807587
2-(3-chloro-4-fluorobenzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2243238
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 4442685
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 4854315
N-(1,3-benzodioxol-5-ylmethyl)-2-{2-chloro-4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 1265764
2-{4-[(benzylamino)sulfonyl]-2-chlorophenoxy}-N-(3-methoxypropyl)acetamide
CID 1796332

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2968274) is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1OC.
What is the InChIKey of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is PBYWRWXKWVJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O6S/c1-14(2)24-31(26,27)16-6-8-18(17(22)12-16)30-13-21(25)23-10-9-15-5-7-19(28-3)20(11-15)29-4/h5-8,11-12,14,24H,9-10,13H2,1-4H3,(H,23,25).
What are the key properties of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 470.98 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2968274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).