N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide

C15H21NO2S — CID 126828920

IUPACN-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)C2CSC2)cc1
InChIInChI=1S/C15H21NO2S/c1-11(2)18-14-5-3-12(4-6-14)7-8-16-15(17)13-9-19-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,16,17)
InChIKeyNYTOYADKOYQZJZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide

N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide (PubChem CID 126828920) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
PubChem CID126828920
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)C2CSC2)cc1
InChIInChI=1S/C15H21NO2S/c1-11(2)18-14-5-3-12(4-6-14)7-8-16-15(17)13-9-19-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,16,17)
InChIKeyNYTOYADKOYQZJZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide 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

1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide?
The IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide (CID 126828920) is N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide is CC(C)Oc1ccc(CCNC(=O)C2CSC2)cc1.
What is the InChIKey of N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide?
The InChIKey is NYTOYADKOYQZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(2)18-14-5-3-12(4-6-14)7-8-16-15(17)13-9-19-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide?
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide is sourced from PubChem (CID 126828920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).