1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea

C13H20N2O3S — CID 111480757

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
SMILESC=CCSCCNC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C13H20N2O3S/c1-3-8-19-9-6-14-12(16)15-10-13(2,17)11-5-4-7-18-11/h3-5,7,17H,1,6,8-10H2,2H3,(H2,14,15,16)
InChIKeySQKVYECTFHTEMZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.71
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea (PubChem CID 111480757) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
PubChem CID111480757
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
SMILESC=CCSCCNC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C13H20N2O3S/c1-3-8-19-9-6-14-12(16)15-10-13(2,17)11-5-4-7-18-11/h3-5,7,17H,1,6,8-10H2,2H3,(H2,14,15,16)
InChIKeySQKVYECTFHTEMZ-UHFFFAOYSA-N
XLogP1.71
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111672960
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
2,2-dimethyl-3-(2-prop-2-enylsulfanylethylcarbamoylamino)propanoic acid
CID 106430622
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111480872
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea (CID 111480757) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea is C=CCSCCNC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea?
The InChIKey is SQKVYECTFHTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-8-19-9-6-14-12(16)15-10-13(2,17)11-5-4-7-18-11/h3-5,7,17H,1,6,8-10H2,2H3,(H2,14,15,16).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea has a molecular weight of 284.38 g/mol, XLogP of 1.71, 8 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-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea is sourced from PubChem (CID 111480757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).