N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C19H24N2O5S2 — CID 24817866

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-15-2-4-16(5-3-15)26-11-8-20-18(22)14-17-6-7-19(27-17)28(23,24)21-9-12-25-13-10-21/h2-7H,8-14H2,1H3,(H,20,22)
InChIKeyVUIRZZDINKOMEC-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.82
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24817866) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24817866
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-15-2-4-16(5-3-15)26-11-8-20-18(22)14-17-6-7-19(27-17)28(23,24)21-9-12-25-13-10-21/h2-7H,8-14H2,1H3,(H,20,22)
InChIKeyVUIRZZDINKOMEC-UHFFFAOYSA-N
XLogP1.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide 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 N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24817866) is N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is Cc1ccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is VUIRZZDINKOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-15-2-4-16(5-3-15)26-11-8-20-18(22)14-17-6-7-19(27-17)28(23,24)21-9-12-25-13-10-21/h2-7H,8-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 424.54 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24817866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).