N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide

C19H19N3O4S2 — CID 43018416

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-11-4-5-13(8-12(11)2)16-10-27-19(21-16)22-18(23)15-9-14(28(20,24)25)6-7-17(15)26-3/h4-10H,1-3H3,(H2,20,24,25)(H,21,22,23)
InChIKeyLJLNDTKHHPPREN-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.34
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 43018416) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID43018416
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-11-4-5-13(8-12(11)2)16-10-27-19(21-16)22-18(23)15-9-14(28(20,24)25)6-7-17(15)26-3/h4-10H,1-3H3,(H2,20,24,25)(H,21,22,23)
InChIKeyLJLNDTKHHPPREN-UHFFFAOYSA-N
XLogP3.34
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 27845372
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxy-5-methylbenzamide
CID 34053840
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide (CID 43018416) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is LJLNDTKHHPPREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-11-4-5-13(8-12(11)2)16-10-27-19(21-16)22-18(23)15-9-14(28(20,24)25)6-7-17(15)26-3/h4-10H,1-3H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 43018416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).