[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C23H23NO3S — CID 7835067

IUPAC[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-17-13-15-28-22(17)23(26)27-16-21(25)24-14-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,20H,12,14,16H2,1H3,(H,24,25)
InChIKeyDYSKLPUWNANXKZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.55
Rot. Bonds8

About [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 7835067) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID7835067
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-17-13-15-28-22(17)23(26)27-16-21(25)24-14-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,20H,12,14,16H2,1H3,(H,24,25)
InChIKeyDYSKLPUWNANXKZ-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501846
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8546573
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502549
[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 71820606
trans-[2-(3,3-diphenylpropylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019831
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715202
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008830
[2-(2-benzylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835066
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2433030
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837716

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 7835067) is [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is DYSKLPUWNANXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-17-13-15-28-22(17)23(26)27-16-21(25)24-14-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13,15,20H,12,14,16H2,1H3,(H,24,25).
What are the key properties of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7835067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).