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

C22H27FN4O3S2 — CID 53115047

IUPACN,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)n2C)nc1C
InChIInChI=1S/C22H27FN4O3S2/c1-7-27(8-2)22(28)20-14(4)24-21(31-20)18-12-19(15(5)26(18)6)32(29,30)25-17-10-9-16(23)11-13(17)3/h9-12,25H,7-8H2,1-6H3
InChIKeyZJSWFAJNXCTGPA-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.50
Rot. Bonds7

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

N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53115047) has the molecular formula C22H27FN4O3S2 and a molecular weight of 478.62 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53115047
Molecular FormulaC22H27FN4O3S2
Molecular Weight478.62 g/mol
Exact Mass478.15
IUPAC NameN,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)n2C)nc1C
InChIInChI=1S/C22H27FN4O3S2/c1-7-27(8-2)22(28)20-14(4)24-21(31-20)18-12-19(15(5)26(18)6)32(29,30)25-17-10-9-16(23)11-13(17)3/h9-12,25H,7-8H2,1-6H3
InChIKeyZJSWFAJNXCTGPA-UHFFFAOYSA-N
XLogP4.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115032
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
N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035535
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
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
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53115047) is N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)n2C)nc1C.
What is the InChIKey of N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZJSWFAJNXCTGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S2/c1-7-27(8-2)22(28)20-14(4)24-21(31-20)18-12-19(15(5)26(18)6)32(29,30)25-17-10-9-16(23)11-13(17)3/h9-12,25H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53115047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).