3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea

C19H20N2O3S — CID 55819422

IUPAC3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H20N2O3S/c1-21(12-18-8-4-10-25-18)19(22)20-16-6-2-5-15(11-16)13-23-14-17-7-3-9-24-17/h2-11H,12-14H2,1H3,(H,20,22)
InChIKeyDCEGSQJMZBHRKX-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.72
Rot. Bonds7

About 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea

3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 55819422) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID55819422
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H20N2O3S/c1-21(12-18-8-4-10-25-18)19(22)20-16-6-2-5-15(11-16)13-23-14-17-7-3-9-24-17/h2-11H,12-14H2,1H3,(H,20,22)
InChIKeyDCEGSQJMZBHRKX-UHFFFAOYSA-N
XLogP4.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 55819422) is 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DCEGSQJMZBHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-21(12-18-8-4-10-25-18)19(22)20-16-6-2-5-15(11-16)13-23-14-17-7-3-9-24-17/h2-11H,12-14H2,1H3,(H,20,22).
What are the key properties of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 356.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).