1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea

C17H22N2O3S — CID 22575175

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2csc(C)c2C)c(OC)c1
InChIInChI=1S/C17H22N2O3S/c1-11-12(2)23-10-13(11)7-8-18-17(20)19-15-6-5-14(21-3)9-16(15)22-4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20)
InChIKeyGLSYUNAZBUKFDR-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.75
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea

1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea (PubChem CID 22575175) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
PubChem CID22575175
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2csc(C)c2C)c(OC)c1
InChIInChI=1S/C17H22N2O3S/c1-11-12(2)23-10-13(11)7-8-18-17(20)19-15-6-5-14(21-3)9-16(15)22-4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20)
InChIKeyGLSYUNAZBUKFDR-UHFFFAOYSA-N
XLogP3.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea 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

1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea (CID 22575175) is 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea is COc1ccc(NC(=O)NCCc2csc(C)c2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The InChIKey is GLSYUNAZBUKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-12(2)23-10-13(11)7-8-18-17(20)19-15-6-5-14(21-3)9-16(15)22-4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea has a molecular weight of 334.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea is sourced from PubChem (CID 22575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).