N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C24H22N4O2S — CID 78903158

IUPACN-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C24H22N4O2S/c1-15-9-10-19(26-22(29)18-7-5-4-6-8-18)14-21(15)27-23(30)20-13-16(2)28(17(20)3)24-25-11-12-31-24/h4-14H,1-3H3,(H,26,29)(H,27,30)
InChIKeyBTIAPGDXXZUSIS-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.36
Rot. Bonds5

About N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78903158) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78903158
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C24H22N4O2S/c1-15-9-10-19(26-22(29)18-7-5-4-6-8-18)14-21(15)27-23(30)20-13-16(2)28(17(20)3)24-25-11-12-31-24/h4-14H,1-3H3,(H,26,29)(H,27,30)
InChIKeyBTIAPGDXXZUSIS-UHFFFAOYSA-N
XLogP5.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900692
2,5-dimethyl-1-(1,3-thiazol-2-yl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-3-carboxamide
CID 112841068
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 43072250
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983285
2,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903126
2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55838019
N-[2-(ethylaminomethyl)phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 119440196
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900621
N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78864660
2,5-dimethyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900903
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78903158) is N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(C)n(-c2nccs2)c1C.
What is the InChIKey of N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is BTIAPGDXXZUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-9-10-19(26-22(29)18-7-5-4-6-8-18)14-21(15)27-23(30)20-13-16(2)28(17(20)3)24-25-11-12-31-24/h4-14H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78903158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).