1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea

C15H16N2O4S — CID 71781951

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
SMILESCC(O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O4S/c1-15(19,8-16-14(18)17-13-3-2-6-22-13)10-4-5-11-12(7-10)21-9-20-11/h2-7,19H,8-9H2,1H3,(H2,16,17,18)
InChIKeyOYGGCUGEPGZNSB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea

1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea (PubChem CID 71781951) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
PubChem CID71781951
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
SMILESCC(O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O4S/c1-15(19,8-16-14(18)17-13-3-2-6-22-13)10-4-5-11-12(7-10)21-9-20-11/h2-7,19H,8-9H2,1H3,(H2,16,17,18)
InChIKeyOYGGCUGEPGZNSB-UHFFFAOYSA-N
XLogP2.51
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 90497922
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676018
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 95982924
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676004
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea (CID 71781951) is 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea is CC(O)(CNC(=O)Nc1cccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The InChIKey is OYGGCUGEPGZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-15(19,8-16-14(18)17-13-3-2-6-22-13)10-4-5-11-12(7-10)21-9-20-11/h2-7,19H,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea has a molecular weight of 320.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71781951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).