1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea

C20H22N4O2S — CID 167829651

IUPAC1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea
SMILESCCN(Cc1ccoc1)C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1
InChIInChI=1S/C20H22N4O2S/c1-3-24(13-15-9-10-26-14-15)20(25)23-19-8-7-17(12-21-19)22-16-5-4-6-18(11-16)27-2/h4-12,14,22H,3,13H2,1-2H3,(H,21,23,25)
InChIKeyWATPHRKPQXRGBR-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.19
Rot. Bonds7

About 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea

1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea (PubChem CID 167829651) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea
PubChem CID167829651
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea
SMILESCCN(Cc1ccoc1)C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1
InChIInChI=1S/C20H22N4O2S/c1-3-24(13-15-9-10-26-14-15)20(25)23-19-8-7-17(12-21-19)22-16-5-4-6-18(11-16)27-2/h4-12,14,22H,3,13H2,1-2H3,(H,21,23,25)
InChIKeyWATPHRKPQXRGBR-UHFFFAOYSA-N
XLogP5.19
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea 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 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea (CID 167829651) is 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea is CCN(Cc1ccoc1)C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1.
What is the InChIKey of 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea?
The InChIKey is WATPHRKPQXRGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-24(13-15-9-10-26-14-15)20(25)23-19-8-7-17(12-21-19)22-16-5-4-6-18(11-16)27-2/h4-12,14,22H,3,13H2,1-2H3,(H,21,23,25).
What are the key properties of 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea?
1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea has a molecular weight of 382.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea is sourced from PubChem (CID 167829651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).