N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H13N3O4S3 — CID 24514747

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O4S3/c1-22-11-5-4-9(7-13(11)25(16,20)21)17-14(19)10-8-24-15(18-10)12-3-2-6-23-12/h2-8H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyNCEGFMDNBOVEPX-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.78
Rot. Bonds5

About N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24514747) has the molecular formula C15H13N3O4S3 and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24514747
Molecular FormulaC15H13N3O4S3
Molecular Weight395.49 g/mol
Exact Mass395.01
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O4S3/c1-22-11-5-4-9(7-13(11)25(16,20)21)17-14(19)10-8-24-15(18-10)12-3-2-6-23-12/h2-8H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyNCEGFMDNBOVEPX-UHFFFAOYSA-N
XLogP2.78
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513683
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513677
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55643516
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 156859744
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 24514747) is N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NCEGFMDNBOVEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S3/c1-22-11-5-4-9(7-13(11)25(16,20)21)17-14(19)10-8-24-15(18-10)12-3-2-6-23-12/h2-8H,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24514747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).