2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

C21H27Cl2N3O4S — CID 24509414

IUPAC2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1
InChIInChI=1S/C21H27Cl2N3O4S/c1-6-26(7-2)31(28,29)15-8-9-19(30-13(3)4)18(11-15)25-20(27)12-16-17(22)10-14(5)24-21(16)23/h8-11,13H,6-7,12H2,1-5H3,(H,25,27)
InChIKeyGSCXAZPFEDFQIV-UHFFFAOYSA-N
MW488.44 g/mol
LogP4.70
Rot. Bonds9

About 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (PubChem CID 24509414) has the molecular formula C21H27Cl2N3O4S and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
PubChem CID24509414
Molecular FormulaC21H27Cl2N3O4S
Molecular Weight488.44 g/mol
Exact Mass487.11
IUPAC Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1
InChIInChI=1S/C21H27Cl2N3O4S/c1-6-26(7-2)31(28,29)15-8-9-19(30-13(3)4)18(11-15)25-20(27)12-16-17(22)10-14(5)24-21(16)23/h8-11,13H,6-7,12H2,1-5H3,(H,25,27)
InChIKeyGSCXAZPFEDFQIV-UHFFFAOYSA-N
XLogP4.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
CID 26354825
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627428
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622286
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 24509105
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (CID 24509414) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1.
What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The InChIKey is GSCXAZPFEDFQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N3O4S/c1-6-26(7-2)31(28,29)15-8-9-19(30-13(3)4)18(11-15)25-20(27)12-16-17(22)10-14(5)24-21(16)23/h8-11,13H,6-7,12H2,1-5H3,(H,25,27).
What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide has a molecular weight of 488.44 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is sourced from PubChem (CID 24509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).