N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

C24H24N4O3S2 — CID 2504417

IUPACN-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O3S2/c1-16-14-21(17(2)28(16)19-8-6-5-7-9-19)22-15-32-24(25-22)26-23(29)18-10-12-20(13-11-18)33(30,31)27(3)4/h5-15H,1-4H3,(H,25,26,29)
InChIKeyFONMHUSWTNDARK-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.72
Rot. Bonds6

About N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2504417) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2504417
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O3S2/c1-16-14-21(17(2)28(16)19-8-6-5-7-9-19)22-15-32-24(25-22)26-23(29)18-10-12-20(13-11-18)33(30,31)27(3)4/h5-15H,1-4H3,(H,25,26,29)
InChIKeyFONMHUSWTNDARK-UHFFFAOYSA-N
XLogP4.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

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CID 12004426
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CID 1117202
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-thiophenecarboxamide
CID 1161245
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2230879
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CID 2327228
2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2336835
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
CID 2463285
N-(Benzo[d]thiazol-2-yl)-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 2529879
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 2504417) is N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is Cc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is FONMHUSWTNDARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-16-14-21(17(2)28(16)19-8-6-5-7-9-19)22-15-32-24(25-22)26-23(29)18-10-12-20(13-11-18)33(30,31)27(3)4/h5-15H,1-4H3,(H,25,26,29).
What are the key properties of N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 480.62 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2504417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).