1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea

C16H20N2O4S — CID 99823433

IUPAC1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
SMILESCc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12-5-7-15(8-6-12)23(20,21)11-13(2)18-16(19)17-10-14-4-3-9-22-14/h3-9,13H,10-11H2,1-2H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyDACAEYIZEWFYAY-ZDUSSCGKSA-N
MW336.41 g/mol
LogP2.25
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea

1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea (PubChem CID 99823433) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
PubChem CID99823433
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
SMILESCc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12-5-7-15(8-6-12)23(20,21)11-13(2)18-16(19)17-10-14-4-3-9-22-14/h3-9,13H,10-11H2,1-2H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyDACAEYIZEWFYAY-ZDUSSCGKSA-N
XLogP2.25
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 3899296
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea (CID 99823433) is 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea is Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea?
The InChIKey is DACAEYIZEWFYAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-5-7-15(8-6-12)23(20,21)11-13(2)18-16(19)17-10-14-4-3-9-22-14/h3-9,13H,10-11H2,1-2H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea?
1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea has a molecular weight of 336.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea is sourced from PubChem (CID 99823433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).