N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide

C15H23NO3S — CID 99826548

IUPACN-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
SMILESCCO[C@@H]1C[C@@](CO)(NC(=O)c2sccc2C)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-11-8-15(9-17,14(11,3)4)16-13(18)12-10(2)6-7-20-12/h6-7,11,17H,5,8-9H2,1-4H3,(H,16,18)/t11-,15+/m1/s1
InChIKeyVBUWPIIRHDRIKF-ABAIWWIYSA-N
MW297.42 g/mol
LogP2.35
Rot. Bonds5

About N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide

N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide (PubChem CID 99826548) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
PubChem CID99826548
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
SMILESCCO[C@@H]1C[C@@](CO)(NC(=O)c2sccc2C)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-11-8-15(9-17,14(11,3)4)16-13(18)12-10(2)6-7-20-12/h6-7,11,17H,5,8-9H2,1-4H3,(H,16,18)/t11-,15+/m1/s1
InChIKeyVBUWPIIRHDRIKF-ABAIWWIYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119034487
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826689
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826692
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 99826637
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2,5-difluorobenzamide
CID 99826642
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119034483
5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 136534169
2-(dimethylamino)-N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]acetamide
CID 99826697
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
CID 99826650
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
CID 99826458
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
3-methyl-N-(3-methylazetidin-3-yl)thiophene-2-carboxamide
CID 130913749

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide (CID 99826548) is N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide is CCO[C@@H]1C[C@@](CO)(NC(=O)c2sccc2C)C1(C)C.
What is the InChIKey of N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide?
The InChIKey is VBUWPIIRHDRIKF-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-19-11-8-15(9-17,14(11,3)4)16-13(18)12-10(2)6-7-20-12/h6-7,11,17H,5,8-9H2,1-4H3,(H,16,18)/t11-,15+/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide?
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 99826548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).