1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

C14H24N2O2S — CID 97099246

IUPAC1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESCCN(CC(C)(C)O)C(=O)N[C@@H](C)Cc1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(10-14(3,4)18)13(17)15-11(2)8-12-6-7-19-9-12/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyHLFPGQXZYBPCCY-NSHDSACASA-N
MW284.42 g/mol
LogP2.48
Rot. Bonds6

About 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (PubChem CID 97099246) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
PubChem CID97099246
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESCCN(CC(C)(C)O)C(=O)N[C@@H](C)Cc1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(10-14(3,4)18)13(17)15-11(2)8-12-6-7-19-9-12/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyHLFPGQXZYBPCCY-NSHDSACASA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (CID 97099246) is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is CCN(CC(C)(C)O)C(=O)N[C@@H](C)Cc1ccsc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The InChIKey is HLFPGQXZYBPCCY-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(10-14(3,4)18)13(17)15-11(2)8-12-6-7-19-9-12/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea has a molecular weight of 284.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is sourced from PubChem (CID 97099246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).