5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide

C17H18N2O2S3 — CID 3239280

IUPAC5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C17H18N2O2S3/c1-2-15-8-9-16(23-15)24(20,21)18-11-10-14-12-22-17(19-14)13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyAIJBMSNYDXEQQX-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.95
Rot. Bonds7

About 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 3239280) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID3239280
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC Name5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C17H18N2O2S3/c1-2-15-8-9-16(23-15)24(20,21)18-11-10-14-12-22-17(19-14)13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyAIJBMSNYDXEQQX-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 3239280) is 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is AIJBMSNYDXEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-2-15-8-9-16(23-15)24(20,21)18-11-10-14-12-22-17(19-14)13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3239280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).