N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide

C20H26Cl2N4O4S — CID 25315575

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C
InChIInChI=1S/C20H26Cl2N4O4S/c1-5-25(13-18(27)23-19-15(21)9-8-10-16(19)22)20(28)17-11-14(12-24(17)4)31(29,30)26(6-2)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,27)
InChIKeySMMYTCZRCJVGGS-UHFFFAOYSA-N
MW489.43 g/mol
LogP3.46
Rot. Bonds9

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide (PubChem CID 25315575) has the molecular formula C20H26Cl2N4O4S and a molecular weight of 489.43 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide
PubChem CID25315575
Molecular FormulaC20H26Cl2N4O4S
Molecular Weight489.43 g/mol
Exact Mass488.11
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C
InChIInChI=1S/C20H26Cl2N4O4S/c1-5-25(13-18(27)23-19-15(21)9-8-10-16(19)22)20(28)17-11-14(12-24(17)4)31(29,30)26(6-2)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,27)
InChIKeySMMYTCZRCJVGGS-UHFFFAOYSA-N
XLogP3.46
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 25481584
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60732233
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide (CID 25315575) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide?
The InChIKey is SMMYTCZRCJVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O4S/c1-5-25(13-18(27)23-19-15(21)9-8-10-16(19)22)20(28)17-11-14(12-24(17)4)31(29,30)26(6-2)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,27).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide has a molecular weight of 489.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25315575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).