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

C16H20N2O3S — CID 84584978

IUPAC1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCCSc1cccc(NC(=O)NCC(C)(O)c2ccco2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-22-13-7-4-6-12(10-13)18-15(19)17-11-16(2,20)14-8-5-9-21-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19)
InChIKeyQXEDPJIWLXPHFA-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.42
Rot. Bonds6

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

1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 84584978) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID84584978
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCCSc1cccc(NC(=O)NCC(C)(O)c2ccco2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-22-13-7-4-6-12(10-13)18-15(19)17-11-16(2,20)14-8-5-9-21-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19)
InChIKeyQXEDPJIWLXPHFA-UHFFFAOYSA-N
XLogP3.42
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
1-(4-ethynyl-2,6-difluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97328706
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95983787
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 71870363
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-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 84584978) is 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CCSc1cccc(NC(=O)NCC(C)(O)c2ccco2)c1.
What is the InChIKey of 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is QXEDPJIWLXPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-22-13-7-4-6-12(10-13)18-15(19)17-11-16(2,20)14-8-5-9-21-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 320.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 84584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).