1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea

C14H22N2O2S — CID 86785501

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCOC1(CNC(=O)NCC(C)c2cccs2)CCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-5-3-8-19-12)9-15-13(17)16-10-14(18-2)6-4-7-14/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyNAAQXWWTLLNXMT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.72
Rot. Bonds6

About 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea

1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea (PubChem CID 86785501) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
PubChem CID86785501
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCOC1(CNC(=O)NCC(C)c2cccs2)CCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-5-3-8-19-12)9-15-13(17)16-10-14(18-2)6-4-7-14/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyNAAQXWWTLLNXMT-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea with MolForge

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Related Compounds

1-[[(3R)-3-hydroxythiolan-3-yl]methyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087400
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[(1-methoxycyclobutyl)methyl]urea
CID 110019235
1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
CID 71868184
1-[[4-[(S)-methylsulfinyl]phenyl]methyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97087435
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-[(1-methoxycyclobutyl)methyl]urea
CID 110019245
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 97078924
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97048749
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-thiophen-2-ylpropyl)urea
CID 111444208
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea (CID 86785501) is 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea is COC1(CNC(=O)NCC(C)c2cccs2)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The InChIKey is NAAQXWWTLLNXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(12-5-3-8-19-12)9-15-13(17)16-10-14(18-2)6-4-7-14/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 86785501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).