ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate

C33H35NO4S — CID 91111483

IUPACethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccsc2)c1
InChIInChI=1S/C33H35NO4S/c1-2-37-32(35)24-38-30-17-9-11-26(23-30)12-10-20-34(33(36)29-19-22-39-25-29)21-18-31(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-9,11,13-17,19,22-23,25,31H,2,10,12,18,20-21,24H2,1H3
InChIKeyOCTVRSTVQRRLGP-UHFFFAOYSA-N
MW541.71 g/mol
LogP6.99
Rot. Bonds14

About ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate

ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate (PubChem CID 91111483) has the molecular formula C33H35NO4S and a molecular weight of 541.71 g/mol. Its IUPAC name is ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate
PubChem CID91111483
Molecular FormulaC33H35NO4S
Molecular Weight541.71 g/mol
Exact Mass541.23
IUPAC Nameethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccsc2)c1
InChIInChI=1S/C33H35NO4S/c1-2-37-32(35)24-38-30-17-9-11-26(23-30)12-10-20-34(33(36)29-19-22-39-25-29)21-18-31(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-9,11,13-17,19,22-23,25,31H,2,10,12,18,20-21,24H2,1H3
InChIKeyOCTVRSTVQRRLGP-UHFFFAOYSA-N
XLogP6.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.71
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-[3-[3,3-diphenylpropyl-[(E)-3-pyridin-4-ylprop-2-enoyl]amino]propyl]phenoxy]acetate
CID 59145338
ethyl 2-[3-[3-[3,3-diphenylpropyl(3-pyridin-4-ylprop-2-enoyl)amino]propyl]phenoxy]acetate
CID 72528156
[3-[3-[3,3-diphenylpropyl-(4-phenylmethoxybenzoyl)amino]propyl]phenyl] acetate
CID 68982636
[3-[3-[3,3-diphenylpropyl-(3-sulfamoylbenzoyl)amino]propyl]phenyl] acetate
CID 91384180
ethyl 2-[3-[4-(5-benzhydryl-2-oxo-1-pyridinyl)butyl]phenoxy]acetate
CID 59145226
ethyl 2-[3-(4-methylsulfonyloxybutyl)phenoxy]acetate
CID 91385390
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
ethyl 2-[3-[3-(3-benzhydryl-6-oxo-4,5-dihydropyridazin-1-yl)propyl]phenoxy]acetate
CID 91141404
2-[3-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenoxy]acetic acid
CID 66775227
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775114
ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate
CID 39268520
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate (CID 91111483) is ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate is CCOC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccsc2)c1.
What is the InChIKey of ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate?
The InChIKey is OCTVRSTVQRRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO4S/c1-2-37-32(35)24-38-30-17-9-11-26(23-30)12-10-20-34(33(36)29-19-22-39-25-29)21-18-31(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-9,11,13-17,19,22-23,25,31H,2,10,12,18,20-21,24H2,1H3.
What are the key properties of ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate?
ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate has a molecular weight of 541.71 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-[3,3-diphenylpropyl(thiophene-3-carbonyl)amino]propyl]phenoxy]acetate is sourced from PubChem (CID 91111483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).