1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea

C17H24N2O3S — CID 111481743

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCc1cc(C(C)(O)CNC(=O)NCC(C)c2cccs2)c(C)o1
InChIInChI=1S/C17H24N2O3S/c1-11(15-6-5-7-23-15)9-18-16(20)19-10-17(4,21)14-8-12(2)22-13(14)3/h5-8,11,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyOPRVEBZWOUTSSE-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.27
Rot. Bonds6

About 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea (PubChem CID 111481743) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
PubChem CID111481743
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCc1cc(C(C)(O)CNC(=O)NCC(C)c2cccs2)c(C)o1
InChIInChI=1S/C17H24N2O3S/c1-11(15-6-5-7-23-15)9-18-16(20)19-10-17(4,21)14-8-12(2)22-13(14)3/h5-8,11,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyOPRVEBZWOUTSSE-UHFFFAOYSA-N
XLogP3.27
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 111482799
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 111481656
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
CID 95905718
1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
CID 71868184
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 96518439
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(3-ethynylphenyl)urea
CID 111473538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea (CID 111481743) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea is Cc1cc(C(C)(O)CNC(=O)NCC(C)c2cccs2)c(C)o1.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea?
The InChIKey is OPRVEBZWOUTSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11(15-6-5-7-23-15)9-18-16(20)19-10-17(4,21)14-8-12(2)22-13(14)3/h5-8,11,21H,9-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea has a molecular weight of 336.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111481743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).