2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide

C19H26N2O4S2 — CID 16831461

IUPAC2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H26N2O4S2/c1-14-11-17(24-3)19(12-15(14)2)27(22,23)20-13-16(18-5-4-10-26-18)21-6-8-25-9-7-21/h4-5,10-12,16,20H,6-9,13H2,1-3H3
InChIKeyXXIXCBVNHCHFML-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.73
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 16831461) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID16831461
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H26N2O4S2/c1-14-11-17(24-3)19(12-15(14)2)27(22,23)20-13-16(18-5-4-10-26-18)21-6-8-25-9-7-21/h4-5,10-12,16,20H,6-9,13H2,1-3H3
InChIKeyXXIXCBVNHCHFML-UHFFFAOYSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide (CID 16831461) is 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is XXIXCBVNHCHFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-14-11-17(24-3)19(12-15(14)2)27(22,23)20-13-16(18-5-4-10-26-18)21-6-8-25-9-7-21/h4-5,10-12,16,20H,6-9,13H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16831461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).