1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea

C19H24N2O3S — CID 60572958

IUPAC1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H24N2O3S/c22-19(20-11-10-16-7-5-13-25-16)21-17-8-1-2-9-18(17)24-14-15-6-3-4-12-23-15/h1-2,5,7-9,13,15H,3-4,6,10-12,14H2,(H2,20,21,22)
InChIKeyNPAFQWAMNNONDR-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea

1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 60572958) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID60572958
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H24N2O3S/c22-19(20-11-10-16-7-5-13-25-16)21-17-8-1-2-9-18(17)24-14-15-6-3-4-12-23-15/h1-2,5,7-9,13,15H,3-4,6,10-12,14H2,(H2,20,21,22)
InChIKeyNPAFQWAMNNONDR-UHFFFAOYSA-N
XLogP4.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17170314
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8951362
4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
CID 122077814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea (CID 60572958) is 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is NPAFQWAMNNONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c22-19(20-11-10-16-7-5-13-25-16)21-17-8-1-2-9-18(17)24-14-15-6-3-4-12-23-15/h1-2,5,7-9,13,15H,3-4,6,10-12,14H2,(H2,20,21,22).
What are the key properties of 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea?
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 360.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 60572958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).