3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea

C18H24N2O3S — CID 51959921

IUPAC3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESC[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C18H24N2O3S/c1-14(11-15-5-2-8-22-15)19-18(21)20(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2,4-5,7-8,10,14,16H,3,6,9,11-13H2,1H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyMXRIGUYHAULRLX-ZBFHGGJFSA-N
MW348.47 g/mol
LogP3.66
Rot. Bonds7

About 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea

3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 51959921) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID51959921
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESC[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C18H24N2O3S/c1-14(11-15-5-2-8-22-15)19-18(21)20(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2,4-5,7-8,10,14,16H,3,6,9,11-13H2,1H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyMXRIGUYHAULRLX-ZBFHGGJFSA-N
XLogP3.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 55769075
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 93110151
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9055459

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (CID 51959921) is 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is MXRIGUYHAULRLX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(11-15-5-2-8-22-15)19-18(21)20(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2,4-5,7-8,10,14,16H,3,6,9,11-13H2,1H3,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 348.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 51959921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).