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

C19H24N2O3S — CID 102556165

IUPAC1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)Nc1cccc(COCC2CCCCO2)c1
InChIInChI=1S/C19H24N2O3S/c22-19(20-11-16-7-9-25-14-16)21-17-5-3-4-15(10-17)12-23-13-18-6-1-2-8-24-18/h3-5,7,9-10,14,18H,1-2,6,8,11-13H2,(H2,20,21,22)
InChIKeyMYFMPWCUGKNKCQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.16
Rot. Bonds7

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

1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 102556165) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
PubChem CID102556165
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)Nc1cccc(COCC2CCCCO2)c1
InChIInChI=1S/C19H24N2O3S/c22-19(20-11-16-7-9-25-14-16)21-17-5-3-4-15(10-17)12-23-13-18-6-1-2-8-24-18/h3-5,7,9-10,14,18H,1-2,6,8,11-13H2,(H2,20,21,22)
InChIKeyMYFMPWCUGKNKCQ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55820466
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea (CID 102556165) is 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea is O=C(NCc1ccsc1)Nc1cccc(COCC2CCCCO2)c1.
What is the InChIKey of 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is MYFMPWCUGKNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c22-19(20-11-16-7-9-25-14-16)21-17-5-3-4-15(10-17)12-23-13-18-6-1-2-8-24-18/h3-5,7,9-10,14,18H,1-2,6,8,11-13H2,(H2,20,21,22).
What are the key properties of 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 360.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 102556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).