1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea

C16H18N2O5S — CID 122162659

IUPAC1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
SMILESO=C(NCC(OCCO)c1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H18N2O5S/c19-4-5-21-15(11-3-6-24-9-11)8-17-16(20)18-12-1-2-13-14(7-12)23-10-22-13/h1-3,6-7,9,15,19H,4-5,8,10H2,(H2,17,18,20)
InChIKeyOAZGHANQHKTLSE-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.35
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea

1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea (PubChem CID 122162659) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
PubChem CID122162659
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
SMILESO=C(NCC(OCCO)c1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H18N2O5S/c19-4-5-21-15(11-3-6-24-9-11)8-17-16(20)18-12-1-2-13-14(7-12)23-10-22-13/h1-3,6-7,9,15,19H,4-5,8,10H2,(H2,17,18,20)
InChIKeyOAZGHANQHKTLSE-UHFFFAOYSA-N
XLogP2.35
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584208
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]oxamide
CID 122162650
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
1-(1,3-benzodioxol-5-yl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981757
3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methylpropanoic acid
CID 62669555
1-(1,3-benzodioxol-5-yl)-3-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]urea
CID 131703981
1-(1,3-benzodioxol-5-yl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276988
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-cyclohexyl-2-hydroxyethyl]urea
CID 95367592
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea (CID 122162659) is 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea is O=C(NCC(OCCO)c1ccsc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea?
The InChIKey is OAZGHANQHKTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-4-5-21-15(11-3-6-24-9-11)8-17-16(20)18-12-1-2-13-14(7-12)23-10-22-13/h1-3,6-7,9,15,19H,4-5,8,10H2,(H2,17,18,20).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea has a molecular weight of 350.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 122162659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).