2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide

C20H23N3O5S2 — CID 5309468

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H23N3O5S2/c1-4-27-17-9-7-16(8-10-17)23(13-19(24)21-12-18-6-5-11-29-18)30(25,26)20-14(2)22-28-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyHGPQCWOLIARVBG-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.26
Rot. Bonds9

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5309468) has the molecular formula C20H23N3O5S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5309468
Molecular FormulaC20H23N3O5S2
Molecular Weight449.55 g/mol
Exact Mass449.11
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H23N3O5S2/c1-4-27-17-9-7-16(8-10-17)23(13-19(24)21-12-18-6-5-11-29-18)30(25,26)20-14(2)22-28-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyHGPQCWOLIARVBG-UHFFFAOYSA-N
XLogP3.26
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide 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

CID 20858863
CID 20858863
CID 10576379
CID 10576379
CID 3236341
CID 3236341
CID 3236935
CID 3236935
CID 5307214
CID 5307214
CID 5307550
CID 5307550
CID 5307724
CID 5307724
CID 5308694
CID 5308694
CID 5308954
CID 5308954
CID 5309134
CID 5309134
CID 5309503
CID 5309503
CID 16007585
CID 16007585

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide (CID 5309468) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide is CCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HGPQCWOLIARVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S2/c1-4-27-17-9-7-16(8-10-17)23(13-19(24)21-12-18-6-5-11-29-18)30(25,26)20-14(2)22-28-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5309468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).