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

C22H26N4O5S2 — CID 50845233

IUPACN-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N4O5S2/c1-3-31-20-7-5-4-6-18(20)24-33(28,29)17-12-19(22-23-16(2)15-32-22)26(13-17)14-21(27)25-8-10-30-11-9-25/h4-7,12-13,15,24H,3,8-11,14H2,1-2H3
InChIKeyBSFJBQSRVHWKTF-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.98
Rot. Bonds8

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

N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (PubChem CID 50845233) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
PubChem CID50845233
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N4O5S2/c1-3-31-20-7-5-4-6-18(20)24-33(28,29)17-12-19(22-23-16(2)15-32-22)26(13-17)14-21(27)25-8-10-30-11-9-25/h4-7,12-13,15,24H,3,8-11,14H2,1-2H3
InChIKeyBSFJBQSRVHWKTF-UHFFFAOYSA-N
XLogP2.98
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845061
N-[(2-ethoxyphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841937
N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845088
N-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841914
N-(4-chloro-2-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842140
N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842174
N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842091
N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841803
N-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841940
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842088
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842172

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (CID 50845233) is N-(2-ethoxyphenyl)-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-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The InChIKey is BSFJBQSRVHWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-3-31-20-7-5-4-6-18(20)24-33(28,29)17-12-19(22-23-16(2)15-32-22)26(13-17)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-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide has a molecular weight of 490.61 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50845233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).