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

C14H18N2O3S2 — CID 110305114

IUPAC2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2O3S2/c1-19-9-10-21(17,18)15-8-7-13-11-20-14(16-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyNEMCSILAUMLYPP-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.92
Rot. Bonds8

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

2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 110305114) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID110305114
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2O3S2/c1-19-9-10-21(17,18)15-8-7-13-11-20-14(16-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyNEMCSILAUMLYPP-UHFFFAOYSA-N
XLogP1.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylethanesulfonamide
CID 7216713
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110284947

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 110305114) is 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is COCCS(=O)(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is NEMCSILAUMLYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-19-9-10-21(17,18)15-8-7-13-11-20-14(16-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3.
What are the key properties of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110305114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).