4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

C24H23N3O5S2 — CID 43947495

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1C
InChIInChI=1S/C24H23N3O5S2/c1-16-13-18(8-11-22(16)31-3)21-15-33-24(25-21)26-23(28)17-6-9-20(10-7-17)34(29,30)27(2)14-19-5-4-12-32-19/h4-13,15H,14H2,1-3H3,(H,25,26,28)
InChIKeyQHLHXKNHGDGCQM-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.79
Rot. Bonds8

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 43947495) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID43947495
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1C
InChIInChI=1S/C24H23N3O5S2/c1-16-13-18(8-11-22(16)31-3)21-15-33-24(25-21)26-23(28)17-6-9-20(10-7-17)34(29,30)27(2)14-19-5-4-12-32-19/h4-13,15H,14H2,1-3H3,(H,25,26,28)
InChIKeyQHLHXKNHGDGCQM-UHFFFAOYSA-N
XLogP4.79
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947496
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3568856
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038226
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
2-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544449
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 16831206

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 43947495) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1C.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is QHLHXKNHGDGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-16-13-18(8-11-22(16)31-3)21-15-33-24(25-21)26-23(28)17-6-9-20(10-7-17)34(29,30)27(2)14-19-5-4-12-32-19/h4-13,15H,14H2,1-3H3,(H,25,26,28).
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 497.60 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43947495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).