5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide

C31H32N2O4S — CID 70689653

IUPAC5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1
InChIInChI=1S/C31H32N2O4S/c34-29(30-14-8-20-38-30)13-7-15-31(35)33-26(23-36-22-24-9-3-1-4-10-24)21-32-25-16-18-28(19-17-25)37-27-11-5-2-6-12-27/h1-6,8-12,14,16-20,26,32H,7,13,15,21-23H2,(H,33,35)
InChIKeyDAESIMAUDKMISD-UHFFFAOYSA-N
MW528.67 g/mol
LogP6.71
Rot. Bonds15

About 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide

5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide (PubChem CID 70689653) has the molecular formula C31H32N2O4S and a molecular weight of 528.67 g/mol. Its IUPAC name is 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound Name5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
PubChem CID70689653
Molecular FormulaC31H32N2O4S
Molecular Weight528.67 g/mol
Exact Mass528.21
IUPAC Name5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1
InChIInChI=1S/C31H32N2O4S/c34-29(30-14-8-20-38-30)13-7-15-31(35)33-26(23-36-22-24-9-3-1-4-10-24)21-32-25-16-18-28(19-17-25)37-27-11-5-2-6-12-27/h1-6,8-12,14,16-20,26,32H,7,13,15,21-23H2,(H,33,35)
InChIKeyDAESIMAUDKMISD-UHFFFAOYSA-N
XLogP6.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide?
The IUPAC name of 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide (CID 70689653) is 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1.
What is the InChIKey of 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide?
The InChIKey is DAESIMAUDKMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4S/c34-29(30-14-8-20-38-30)13-7-15-31(35)33-26(23-36-22-24-9-3-1-4-10-24)21-32-25-16-18-28(19-17-25)37-27-11-5-2-6-12-27/h1-6,8-12,14,16-20,26,32H,7,13,15,21-23H2,(H,33,35).
What are the key properties of 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide?
5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide has a molecular weight of 528.67 g/mol, XLogP of 6.71, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 70689653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).