2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

C23H30N4O3S2 — CID 53115032

IUPAC2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)n2C)nc1C
InChIInChI=1S/C23H30N4O3S2/c1-8-27(9-2)23(28)21-16(5)24-22(31-21)19-13-20(17(6)26(19)7)32(29,30)25-18-12-14(3)10-11-15(18)4/h10-13,25H,8-9H2,1-7H3
InChIKeyXDIJUIFVECHZET-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.67
Rot. Bonds7

About 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53115032) has the molecular formula C23H30N4O3S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53115032
Molecular FormulaC23H30N4O3S2
Molecular Weight474.65 g/mol
Exact Mass474.18
IUPAC Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)n2C)nc1C
InChIInChI=1S/C23H30N4O3S2/c1-8-27(9-2)23(28)21-16(5)24-22(31-21)19-13-20(17(6)26(19)7)32(29,30)25-18-12-14(3)10-11-15(18)4/h10-13,25H,8-9H2,1-7H3
InChIKeyXDIJUIFVECHZET-UHFFFAOYSA-N
XLogP4.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53115047
2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115034
2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115028
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)pyrrole-3-sulfonamide
CID 53114874
N-(2,6-dimethylphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114958
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035535
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
N-(2,5-dimethylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138789

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 53115032) is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)n2C)nc1C.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XDIJUIFVECHZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S2/c1-8-27(9-2)23(28)21-16(5)24-22(31-21)19-13-20(17(6)26(19)7)32(29,30)25-18-12-14(3)10-11-15(18)4/h10-13,25H,8-9H2,1-7H3.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53115032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).