2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide

C31H29NO2S — CID 100782858

IUPAC2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO2S/c33-30(32-27-16-18-28(19-17-27)34-29-22-35-23-29)31(26-14-8-3-9-15-26,20-24-10-4-1-5-11-24)21-25-12-6-2-7-13-25/h1-19,29H,20-23H2,(H,32,33)
InChIKeyYEKDKQXILSTJFD-UHFFFAOYSA-N
MW479.65 g/mol
LogP6.54
Rot. Bonds9

About 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide

2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide (PubChem CID 100782858) has the molecular formula C31H29NO2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide.

Molecular Properties

Compound Name2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide
PubChem CID100782858
Molecular FormulaC31H29NO2S
Molecular Weight479.65 g/mol
Exact Mass479.19
IUPAC Name2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO2S/c33-30(32-27-16-18-28(19-17-27)34-29-22-35-23-29)31(26-14-8-3-9-15-26,20-24-10-4-1-5-11-24)21-25-12-6-2-7-13-25/h1-19,29H,20-23H2,(H,32,33)
InChIKeyYEKDKQXILSTJFD-UHFFFAOYSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
1-phenyl-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781195
(1S,5S)-3-benzyl-2,2-dioxo-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063176
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
3-methyl-3-[4-(thietan-3-yloxy)phenyl]butanoic acid
CID 117420210
(1R,5S)-2,2-dioxo-3-phenyl-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063072
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
CID 100781828
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide?
The IUPAC name of 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide (CID 100782858) is 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide.
What is the SMILES notation for 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide?
The canonical SMILES for 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide is O=C(Nc1ccc(OC2CSC2)cc1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide?
The InChIKey is YEKDKQXILSTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO2S/c33-30(32-27-16-18-28(19-17-27)34-29-22-35-23-29)31(26-14-8-3-9-15-26,20-24-10-4-1-5-11-24)21-25-12-6-2-7-13-25/h1-19,29H,20-23H2,(H,32,33).
What are the key properties of 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide?
2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide has a molecular weight of 479.65 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide is sourced from PubChem (CID 100782858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).