4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide

C19H24N2O3S — CID 91784055

IUPAC4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)csc1C
InChIInChI=1S/C19H24N2O3S/c1-3-15-13(2)25-12-16(15)19(22)21-17-11-23-9-7-18(17)24-10-14-6-4-5-8-20-14/h4-6,8,12,17-18H,3,7,9-11H2,1-2H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyYGTQVZWGVGIVKB-QZTJIDSGSA-N
MW360.48 g/mol
LogP3.12
Rot. Bonds6

About 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide

4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide (PubChem CID 91784055) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide
PubChem CID91784055
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)csc1C
InChIInChI=1S/C19H24N2O3S/c1-3-15-13(2)25-12-16(15)19(22)21-17-11-23-9-7-18(17)24-10-14-6-4-5-8-20-14/h4-6,8,12,17-18H,3,7,9-11H2,1-2H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyYGTQVZWGVGIVKB-QZTJIDSGSA-N
XLogP3.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

(E)-N-[(1S)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-(2-pyridyl)prop-2-enamide
CID 6478348
[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2680607
Thiophene-2-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228507
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
Thiophene-2-carboxylic acid cyclopentylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228506
[2-[(3-Methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776253
N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 42247022
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-2-ylmethanone
CID 97419529
[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-3-ylmethanone
CID 97458442
N,N-dimethyl-3-morpholin-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 110246100
N-methyl-6-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 110272029
2-({[1-(4,5,6,7-Tetrahydro-1-benzothien-3-ylcarbonyl)-3-piperidinyl]oxy}methyl)pyridine
CID 70730114

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide (CID 91784055) is 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide is CCc1c(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide?
The InChIKey is YGTQVZWGVGIVKB-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-15-13(2)25-12-16(15)19(22)21-17-11-23-9-7-18(17)24-10-14-6-4-5-8-20-14/h4-6,8,12,17-18H,3,7,9-11H2,1-2H3,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide?
4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91784055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).