1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea

C15H22N2O3S — CID 90584520

IUPAC1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-20-13-6-4-12(5-7-13)17-14(18)16-10-15(19-2)8-9-21-11-15/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyBBASNYOWALXKQJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea

1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea (PubChem CID 90584520) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
PubChem CID90584520
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-20-13-6-4-12(5-7-13)17-14(18)16-10-15(19-2)8-9-21-11-15/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyBBASNYOWALXKQJ-UHFFFAOYSA-N
XLogP2.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]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-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342
1-(2,3-dimethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804947
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
CID 72717990
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea (CID 90584520) is 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea is CCOc1ccc(NC(=O)NCC2(OC)CCSC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
The InChIKey is BBASNYOWALXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-20-13-6-4-12(5-7-13)17-14(18)16-10-15(19-2)8-9-21-11-15/h4-7H,3,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea?
1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea has a molecular weight of 310.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea is sourced from PubChem (CID 90584520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).