N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C16H16N2O2S3 — CID 166181462

IUPACN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H16N2O2S3/c1-12-5-7-14(8-6-12)23(19,20)18(2)10-13-11-22-16(17-13)15-4-3-9-21-15/h3-9,11H,10H2,1-2H3
InChIKeyFYSKAQUAMDRTGX-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.00
Rot. Bonds5

About N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 166181462) has the molecular formula C16H16N2O2S3 and a molecular weight of 364.52 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID166181462
Molecular FormulaC16H16N2O2S3
Molecular Weight364.52 g/mol
Exact Mass364.04
IUPAC NameN,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H16N2O2S3/c1-12-5-7-14(8-6-12)23(19,20)18(2)10-13-11-22-16(17-13)15-4-3-9-21-15/h3-9,11H,10H2,1-2H3
InChIKeyFYSKAQUAMDRTGX-UHFFFAOYSA-N
XLogP4.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 8749615
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 56910011
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145
N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 171913031
4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 47051600
ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
CID 47959412
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110718209
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 166181462) is N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2csc(-c3cccs3)n2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is FYSKAQUAMDRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S3/c1-12-5-7-14(8-6-12)23(19,20)18(2)10-13-11-22-16(17-13)15-4-3-9-21-15/h3-9,11H,10H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 364.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 166181462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).