N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide

C22H26N4O4S2 — CID 50845061

IUPACN-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N4O4S2/c1-3-17-6-4-5-7-19(17)24-32(28,29)18-12-20(22-23-16(2)15-31-22)26(13-18)14-21(27)25-8-10-30-11-9-25/h4-7,12-13,15,24H,3,8-11,14H2,1-2H3
InChIKeyLXOQBCJTUAMUCK-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.14
Rot. Bonds7

About N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide

N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (PubChem CID 50845061) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
PubChem CID50845061
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N4O4S2/c1-3-17-6-4-5-7-19(17)24-32(28,29)18-12-20(22-23-16(2)15-31-22)26(13-18)14-21(27)25-8-10-30-11-9-25/h4-7,12-13,15,24H,3,8-11,14H2,1-2H3
InChIKeyLXOQBCJTUAMUCK-UHFFFAOYSA-N
XLogP3.14
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (CID 50845061) is N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The InChIKey is LXOQBCJTUAMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-3-17-6-4-5-7-19(17)24-32(28,29)18-12-20(22-23-16(2)15-31-22)26(13-18)14-21(27)25-8-10-30-11-9-25/h4-7,12-13,15,24H,3,8-11,14H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide has a molecular weight of 474.61 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50845061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).