3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide

C21H19ClN4O4S2 — CID 55585722

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn3ccsc3n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O4S2/c1-30-18-7-4-15(20(27)23-12-17-13-26-8-9-31-21(26)25-17)10-19(18)32(28,29)24-11-14-2-5-16(22)6-3-14/h2-10,13,24H,11-12H2,1H3,(H,23,27)
InChIKeyVDZIXSSLRMRXNN-UHFFFAOYSA-N
MW490.99 g/mol
LogP3.47
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide (PubChem CID 55585722) has the molecular formula C21H19ClN4O4S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
PubChem CID55585722
Molecular FormulaC21H19ClN4O4S2
Molecular Weight490.99 g/mol
Exact Mass490.05
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn3ccsc3n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O4S2/c1-30-18-7-4-15(20(27)23-12-17-13-26-8-9-31-21(26)25-17)10-19(18)32(28,29)24-11-14-2-5-16(22)6-3-14/h2-10,13,24H,11-12H2,1H3,(H,23,27)
InChIKeyVDZIXSSLRMRXNN-UHFFFAOYSA-N
XLogP3.47
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55492908
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide (CID 55585722) is 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2cn3ccsc3n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide?
The InChIKey is VDZIXSSLRMRXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S2/c1-30-18-7-4-15(20(27)23-12-17-13-26-8-9-31-21(26)25-17)10-19(18)32(28,29)24-11-14-2-5-16(22)6-3-14/h2-10,13,24H,11-12H2,1H3,(H,23,27).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide has a molecular weight of 490.99 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 55585722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).