3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea

C19H24N2O3S — CID 97456365

IUPAC3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-23-17-7-5-16(6-8-17)20-19(22)21(12-15-9-11-25-14-15)13-18-4-3-10-24-18/h5-9,11,14,18H,2-4,10,12-13H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyWPKKXBQTCFSNRF-SFHVURJKSA-N
MW360.48 g/mol
LogP4.36
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea

3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 97456365) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID97456365
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-23-17-7-5-16(6-8-17)20-19(22)21(12-15-9-11-25-14-15)13-18-4-3-10-24-18/h5-9,11,14,18H,2-4,10,12-13H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyWPKKXBQTCFSNRF-SFHVURJKSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3544407
3-(2-ethylsulfanylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97436140
3-(2-ethylsulfanylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97436139
1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 72915595
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
4-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42448796
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 4189835
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
3-(4-cyanophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25348927
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4319578

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea (CID 97456365) is 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea is CCOc1ccc(NC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is WPKKXBQTCFSNRF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-23-17-7-5-16(6-8-17)20-19(22)21(12-15-9-11-25-14-15)13-18-4-3-10-24-18/h5-9,11,14,18H,2-4,10,12-13H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea?
3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 360.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 97456365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).