1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea

C14H18N2O3S — CID 97317712

IUPAC1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
SMILESC[C@](O)(CNC(=O)NCCc1ccco1)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-14(18,12-5-3-9-20-12)10-16-13(17)15-7-6-11-4-2-8-19-11/h2-5,8-9,18H,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyYDKMTYZTDCJBHS-AWEZNQCLSA-N
MW294.38 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea

1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea (PubChem CID 97317712) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
PubChem CID97317712
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
SMILESC[C@](O)(CNC(=O)NCCc1ccco1)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-14(18,12-5-3-9-20-12)10-16-13(17)15-7-6-11-4-2-8-19-11/h2-5,8-9,18H,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyYDKMTYZTDCJBHS-AWEZNQCLSA-N
XLogP2.09
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 110056897
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111516762
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(2-hydroxy-2-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110056916
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea (CID 97317712) is 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea is C[C@](O)(CNC(=O)NCCc1ccco1)c1cccs1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The InChIKey is YDKMTYZTDCJBHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(18,12-5-3-9-20-12)10-16-13(17)15-7-6-11-4-2-8-19-11/h2-5,8-9,18H,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea has a molecular weight of 294.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97317712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).