N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide

C15H23NO3S — CID 99826692

IUPACN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
SMILESCCO[C@H]1C[C@](CO)(NC(=O)c2cscc2C)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-12-6-15(9-17,14(12,3)4)16-13(18)11-8-20-7-10(11)2/h7-8,12,17H,5-6,9H2,1-4H3,(H,16,18)/t12-,15+/m0/s1
InChIKeyKFXJGOXMMRQWOL-SWLSCSKDSA-N
MW297.42 g/mol
LogP2.35
Rot. Bonds5

About N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide

N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide (PubChem CID 99826692) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
PubChem CID99826692
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
SMILESCCO[C@H]1C[C@](CO)(NC(=O)c2cscc2C)C1(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-12-6-15(9-17,14(12,3)4)16-13(18)11-8-20-7-10(11)2/h7-8,12,17H,5-6,9H2,1-4H3,(H,16,18)/t12-,15+/m0/s1
InChIKeyKFXJGOXMMRQWOL-SWLSCSKDSA-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-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826689
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
CID 99826548
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119034487
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2,5-difluorobenzamide
CID 99826642
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 99826637
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119034483
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
5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 136534169
N-[(1S,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]but-2-ynamide
CID 166430899
4-[[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024245

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide (CID 99826692) is N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide is CCO[C@H]1C[C@](CO)(NC(=O)c2cscc2C)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide?
The InChIKey is KFXJGOXMMRQWOL-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-19-12-6-15(9-17,14(12,3)4)16-13(18)11-8-20-7-10(11)2/h7-8,12,17H,5-6,9H2,1-4H3,(H,16,18)/t12-,15+/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide?
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-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-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 99826692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).