N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C17H16Cl2N4O3S2 — CID 32628091

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n(C)c1
InChIInChI=1S/C17H16Cl2N4O3S2/c1-20-28(25,26)13-7-15(23(2)9-13)16(24)22-17-21-8-12(27-17)5-10-3-4-11(18)6-14(10)19/h3-4,6-9,20H,5H2,1-2H3,(H,21,22,24)
InChIKeyWQWHPUQTQNQSFU-UHFFFAOYSA-N
MW459.38 g/mol
LogP3.54
Rot. Bonds6

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 32628091) has the molecular formula C17H16Cl2N4O3S2 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID32628091
Molecular FormulaC17H16Cl2N4O3S2
Molecular Weight459.38 g/mol
Exact Mass458.00
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n(C)c1
InChIInChI=1S/C17H16Cl2N4O3S2/c1-20-28(25,26)13-7-15(23(2)9-13)16(24)22-17-21-8-12(27-17)5-10-3-4-11(18)6-14(10)19/h3-4,6-9,20H,5H2,1-2H3,(H,21,22,24)
InChIKeyWQWHPUQTQNQSFU-UHFFFAOYSA-N
XLogP3.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(propan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 30829823
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24628872
4-(2-cyanoethylsulfamoyl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 29363584
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944220
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 36916717
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134055846

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 32628091) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n(C)c1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is WQWHPUQTQNQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S2/c1-20-28(25,26)13-7-15(23(2)9-13)16(24)22-17-21-8-12(27-17)5-10-3-4-11(18)6-14(10)19/h3-4,6-9,20H,5H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 32628091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).