5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide

C18H22N2O3S — CID 91780113

IUPAC5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)cs1
InChIInChI=1S/C18H22N2O3S/c1-3-15-8-13(11-24-15)18(21)20-16-6-7-22-10-17(16)23-14-5-4-12(2)19-9-14/h4-5,8-9,11,16-17H,3,6-7,10H2,1-2H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyMRAADANEMVNYBG-SJORKVTESA-N
MW346.45 g/mol
LogP2.98
Rot. Bonds5

About 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide

5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide (PubChem CID 91780113) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
PubChem CID91780113
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)cs1
InChIInChI=1S/C18H22N2O3S/c1-3-15-8-13(11-24-15)18(21)20-16-6-7-22-10-17(16)23-14-5-4-12(2)19-9-14/h4-5,8-9,11,16-17H,3,6-7,10H2,1-2H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyMRAADANEMVNYBG-SJORKVTESA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide (CID 91780113) is 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide is CCc1cc(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)cs1.
What is the InChIKey of 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide?
The InChIKey is MRAADANEMVNYBG-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-15-8-13(11-24-15)18(21)20-16-6-7-22-10-17(16)23-14-5-4-12(2)19-9-14/h4-5,8-9,11,16-17H,3,6-7,10H2,1-2H3,(H,20,21)/t16-,17+/m1/s1.
What are the key properties of 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide?
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91780113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).