N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide

C15H20N2O4S2 — CID 7119083

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H20N2O4S2/c1-4-23(18,19)16-8-7-12-10-22-15(17-12)11-5-6-13(20-2)14(9-11)21-3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyURBUVJOLJHXGAP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds8

About N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide (PubChem CID 7119083) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
PubChem CID7119083
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H20N2O4S2/c1-4-23(18,19)16-8-7-12-10-22-15(17-12)11-5-6-13(20-2)14(9-11)21-3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyURBUVJOLJHXGAP-UHFFFAOYSA-N
XLogP2.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide (CID 7119083) is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The InChIKey is URBUVJOLJHXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-4-23(18,19)16-8-7-12-10-22-15(17-12)11-5-6-13(20-2)14(9-11)21-3/h5-6,9-10,16H,4,7-8H2,1-3H3.
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 7119083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).