3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C16H22N2O4S2 — CID 54773890

IUPAC3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C(C)C)cs2)cc1OC
InChIInChI=1S/C16H22N2O4S2/c1-11(2)13-10-23-16(18-13)7-8-17-24(19,20)12-5-6-14(21-3)15(9-12)22-4/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyWJROGMLOKCHLIW-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.80
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 54773890) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID54773890
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Name3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C(C)C)cs2)cc1OC
InChIInChI=1S/C16H22N2O4S2/c1-11(2)13-10-23-16(18-13)7-8-17-24(19,20)12-5-6-14(21-3)15(9-12)22-4/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyWJROGMLOKCHLIW-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320319
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 54773890) is 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(C(C)C)cs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WJROGMLOKCHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-11(2)13-10-23-16(18-13)7-8-17-24(19,20)12-5-6-14(21-3)15(9-12)22-4/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 370.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 54773890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).