1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea

C23H30N2O2S — CID 55769075

IUPAC1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
SMILESCC(NC(=O)N(Cc1cccs1)CC1CCCO1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H30N2O2S/c1-17(19-11-10-18-6-2-3-7-20(18)14-19)24-23(26)25(15-21-8-4-12-27-21)16-22-9-5-13-28-22/h5,9-11,13-14,17,21H,2-4,6-8,12,15-16H2,1H3,(H,24,26)
InChIKeyHZAQJSXTKTWJJH-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.08
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea

1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 55769075) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID55769075
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
SMILESCC(NC(=O)N(Cc1cccs1)CC1CCCO1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H30N2O2S/c1-17(19-11-10-18-6-2-3-7-20(18)14-19)24-23(26)25(15-21-8-4-12-27-21)16-22-9-5-13-28-22/h5,9-11,13-14,17,21H,2-4,6-8,12,15-16H2,1H3,(H,24,26)
InChIKeyHZAQJSXTKTWJJH-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55591034
3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 51959921
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea (CID 55769075) is 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea is CC(NC(=O)N(Cc1cccs1)CC1CCCO1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is HZAQJSXTKTWJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-17(19-11-10-18-6-2-3-7-20(18)14-19)24-23(26)25(15-21-8-4-12-27-21)16-22-9-5-13-28-22/h5,9-11,13-14,17,21H,2-4,6-8,12,15-16H2,1H3,(H,24,26).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea?
1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 398.57 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55769075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).