1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea

C15H20N2O2S — CID 71990385

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
SMILESCSC1CCCC1NC(=O)NC1COc2ccccc21
InChIInChI=1S/C15H20N2O2S/c1-20-14-8-4-6-11(14)16-15(18)17-12-9-19-13-7-3-2-5-10(12)13/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3,(H2,16,17,18)
InChIKeyRXOFANUOKGMTBE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea

1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea (PubChem CID 71990385) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
PubChem CID71990385
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
SMILESCSC1CCCC1NC(=O)NC1COc2ccccc21
InChIInChI=1S/C15H20N2O2S/c1-20-14-8-4-6-11(14)16-15(18)17-12-9-19-13-7-3-2-5-10(12)13/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3,(H2,16,17,18)
InChIKeyRXOFANUOKGMTBE-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933160
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010010
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 71917862
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]urea
CID 99635705
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 97331934
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119759945
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea (CID 71990385) is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea is CSC1CCCC1NC(=O)NC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The InChIKey is RXOFANUOKGMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-14-8-4-6-11(14)16-15(18)17-12-9-19-13-7-3-2-5-10(12)13/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea?
1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea has a molecular weight of 292.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea is sourced from PubChem (CID 71990385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).