1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea

C19H20N2O2S — CID 111440872

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
SMILESO=C(NCCc1cccc2ccccc12)NCC(O)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c22-18(16-9-11-24-13-16)12-21-19(23)20-10-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,9,11,13,18,22H,8,10,12H2,(H2,20,21,23)
InChIKeyBAVWOXDYHDUWIB-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.48
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea (PubChem CID 111440872) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
PubChem CID111440872
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
SMILESO=C(NCCc1cccc2ccccc12)NCC(O)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c22-18(16-9-11-24-13-16)12-21-19(23)20-10-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,9,11,13,18,22H,8,10,12H2,(H2,20,21,23)
InChIKeyBAVWOXDYHDUWIB-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440796
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111441048
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea (CID 111440872) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea is O=C(NCCc1cccc2ccccc12)NCC(O)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea?
The InChIKey is BAVWOXDYHDUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(16-9-11-24-13-16)12-21-19(23)20-10-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,9,11,13,18,22H,8,10,12H2,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 111440872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).