2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C13H16N2O3S2 — CID 110715765

IUPAC2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1nccs1
InChIInChI=1S/C13H16N2O3S2/c1-10-4-5-11(18-3)12(8-10)20(16,17)15(2)9-13-14-6-7-19-13/h4-8H,9H2,1-3H3
InChIKeyLDSKFUGNPVQEQK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.28
Rot. Bonds5

About 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715765) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715765
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1nccs1
InChIInChI=1S/C13H16N2O3S2/c1-10-4-5-11(18-3)12(8-10)20(16,17)15(2)9-13-14-6-7-19-13/h4-8H,9H2,1-3H3
InChIKeyLDSKFUGNPVQEQK-UHFFFAOYSA-N
XLogP2.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)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

2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
2,5-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723421

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715765) is 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nccs1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is LDSKFUGNPVQEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-4-5-11(18-3)12(8-10)20(16,17)15(2)9-13-14-6-7-19-13/h4-8H,9H2,1-3H3.
What are the key properties of 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).