2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol

C22H29NOS — CID 110181698

IUPAC2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol
SMILESCC(NC/C=C(\c1ccsc1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-13,15-18,22-24H,2,4-5,8-9,14H2,1H3/b21-12-
InChIKeyPVESLOXEXFAEGG-MTJSOVHGSA-N
MW355.55 g/mol
LogP5.42
Rot. Bonds7

About 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol

2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol (PubChem CID 110181698) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol
PubChem CID110181698
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol
SMILESCC(NC/C=C(\c1ccsc1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-13,15-18,22-24H,2,4-5,8-9,14H2,1H3/b21-12-
InChIKeyPVESLOXEXFAEGG-MTJSOVHGSA-N
XLogP5.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol (CID 110181698) is 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol is CC(NC/C=C(\c1ccsc1)C1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The InChIKey is PVESLOXEXFAEGG-MTJSOVHGSA-N. The full InChI is InChI=1S/C22H29NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-13,15-18,22-24H,2,4-5,8-9,14H2,1H3/b21-12-.
What are the key properties of 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol?
2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol has a molecular weight of 355.55 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110181698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).