1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea

C14H18N2O3S — CID 119101156

IUPAC1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10(2)16-13(17)15-9-14(18,11-5-7-20-8-11)12-4-3-6-19-12/h3-8,10,18H,9H2,1-2H3,(H2,15,16,17)
InChIKeyVTQVEILBCMADPD-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea

1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea (PubChem CID 119101156) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
PubChem CID119101156
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10(2)16-13(17)15-9-14(18,11-5-7-20-8-11)12-4-3-6-19-12/h3-8,10,18H,9H2,1-2H3,(H2,15,16,17)
InChIKeyVTQVEILBCMADPD-UHFFFAOYSA-N
XLogP2.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 124727836
1-(1,3-benzodioxol-5-yl)-3-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 119101158
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea (CID 119101156) is 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(O)(c1ccsc1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea?
The InChIKey is VTQVEILBCMADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(2)16-13(17)15-9-14(18,11-5-7-20-8-11)12-4-3-6-19-12/h3-8,10,18H,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea?
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea has a molecular weight of 294.38 g/mol, XLogP of 2.28, 5 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)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea is sourced from PubChem (CID 119101156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).