N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide

C14H16N2O5S2 — CID 48569535

IUPACN-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C14H16N2O5S2/c1-4-13-15-8-11(22-13)14(17)16-23(18,19)12-7-9(20-2)5-6-10(12)21-3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeySWWYHOPMMDULOX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.84
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide

N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48569535) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48569535
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C14H16N2O5S2/c1-4-13-15-8-11(22-13)14(17)16-23(18,19)12-7-9(20-2)5-6-10(12)21-3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeySWWYHOPMMDULOX-UHFFFAOYSA-N
XLogP1.84
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide (CID 48569535) is N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)s1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is SWWYHOPMMDULOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-4-13-15-8-11(22-13)14(17)16-23(18,19)12-7-9(20-2)5-6-10(12)21-3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48569535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).