N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C17H18N2O3S3 — CID 50835813

IUPACN-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C17H18N2O3S3/c1-4-22-14-8-6-5-7-13(14)19-25(20,21)16-9-15(24-12(16)3)17-18-11(2)10-23-17/h5-10,19H,4H2,1-3H3
InChIKeyGQZWUTVBCNJBGF-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.69
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835813) has the molecular formula C17H18N2O3S3 and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835813
Molecular FormulaC17H18N2O3S3
Molecular Weight394.54 g/mol
Exact Mass394.05
IUPAC NameN-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C17H18N2O3S3/c1-4-22-14-8-6-5-7-13(14)19-25(20,21)16-9-15(24-12(16)3)17-18-11(2)10-23-17/h5-10,19H,4H2,1-3H3
InChIKeyGQZWUTVBCNJBGF-UHFFFAOYSA-N
XLogP4.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835794
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841909
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104512
5-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethylphenyl)-2-methylthiophene-3-sulfonamide
CID 50835162
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 46392947
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845233
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835813) is N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is GQZWUTVBCNJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S3/c1-4-22-14-8-6-5-7-13(14)19-25(20,21)16-9-15(24-12(16)3)17-18-11(2)10-23-17/h5-10,19H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).