N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C24H24N4O4S2 — CID 43072250

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3nccs3)c2C)ccc1C
InChIInChI=1S/C24H24N4O4S2/c1-15-9-10-18(14-22(15)34(30,31)27-20-7-5-6-8-21(20)32-4)26-23(29)19-13-16(2)28(17(19)3)24-25-11-12-33-24/h5-14,27H,1-4H3,(H,26,29)
InChIKeyAPZCUAGFAZUVRW-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.92
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 43072250) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID43072250
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3nccs3)c2C)ccc1C
InChIInChI=1S/C24H24N4O4S2/c1-15-9-10-18(14-22(15)34(30,31)27-20-7-5-6-8-21(20)32-4)26-23(29)19-13-16(2)28(17(19)3)24-25-11-12-33-24/h5-14,27H,1-4H3,(H,26,29)
InChIKeyAPZCUAGFAZUVRW-UHFFFAOYSA-N
XLogP4.92
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903158
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
2,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903126
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983285
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 43072250) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3nccs3)c2C)ccc1C.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is APZCUAGFAZUVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-15-9-10-18(14-22(15)34(30,31)27-20-7-5-6-8-21(20)32-4)26-23(29)19-13-16(2)28(17(19)3)24-25-11-12-33-24/h5-14,27H,1-4H3,(H,26,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 43072250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).