3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

C19H24N2O4S — CID 90610813

IUPAC3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOc1cccc(NC(=O)N(Cc2cccs2)C2CCOCC2)c1OC
InChIInChI=1S/C19H24N2O4S/c1-23-17-7-3-6-16(18(17)24-2)20-19(22)21(13-15-5-4-12-26-15)14-8-10-25-11-9-14/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,22)
InChIKeyJUPBYCCADJBPEX-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.98
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 90610813) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID90610813
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOc1cccc(NC(=O)N(Cc2cccs2)C2CCOCC2)c1OC
InChIInChI=1S/C19H24N2O4S/c1-23-17-7-3-6-16(18(17)24-2)20-19(22)21(13-15-5-4-12-26-15)14-8-10-25-11-9-14/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,22)
InChIKeyJUPBYCCADJBPEX-UHFFFAOYSA-N
XLogP3.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
methyl 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-fluorobenzoate
CID 78879191
1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
N-benzyl-2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4003923

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (CID 90610813) is 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is COc1cccc(NC(=O)N(Cc2cccs2)C2CCOCC2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is JUPBYCCADJBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-23-17-7-3-6-16(18(17)24-2)20-19(22)21(13-15-5-4-12-26-15)14-8-10-25-11-9-14/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 376.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 90610813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).