2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide

C16H22N2O4S2 — CID 110398405

IUPAC2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2cc(C)c(C)cc2OC)cs1
InChIInChI=1S/C16H22N2O4S2/c1-11-7-14(22-4)15(8-12(11)2)24(19,20)17-6-5-13-10-23-16(18-13)9-21-3/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyZBLFUEDBWZQENZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.44
Rot. Bonds8

About 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide

2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 110398405) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
PubChem CID110398405
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Name2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2cc(C)c(C)cc2OC)cs1
InChIInChI=1S/C16H22N2O4S2/c1-11-7-14(22-4)15(8-12(11)2)24(19,20)17-6-5-13-10-23-16(18-13)9-21-3/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyZBLFUEDBWZQENZ-UHFFFAOYSA-N
XLogP2.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
4-tert-butyl-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398436
5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110398410
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108782290
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 110717920
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide (CID 110398405) is 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide is COCc1nc(CCNS(=O)(=O)c2cc(C)c(C)cc2OC)cs1.
What is the InChIKey of 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZBLFUEDBWZQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-11-7-14(22-4)15(8-12(11)2)24(19,20)17-6-5-13-10-23-16(18-13)9-21-3/h7-8,10,17H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 370.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110398405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).