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

C12H16N2O2S3 — CID 110716079

IUPAC5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CCc2nccs2)s1
InChIInChI=1S/C12H16N2O2S3/c1-3-10-4-5-12(18-10)19(15,16)14(2)8-6-11-13-7-9-17-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyNIVGEEXNPLOCQV-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.63
Rot. Bonds6

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

5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110716079) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110716079
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CCc2nccs2)s1
InChIInChI=1S/C12H16N2O2S3/c1-3-10-4-5-12(18-10)19(15,16)14(2)8-6-11-13-7-9-17-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyNIVGEEXNPLOCQV-UHFFFAOYSA-N
XLogP2.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 110716079) is 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(C)CCc2nccs2)s1.
What is the InChIKey of 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is NIVGEEXNPLOCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-3-10-4-5-12(18-10)19(15,16)14(2)8-6-11-13-7-9-17-11/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110716079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).