3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide

C14H21NO3S — CID 97213639

IUPAC3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N(C)C[C@H]1CCCOC1
InChIInChI=1S/C14H21NO3S/c1-10-7-12(17-3)13(19-10)14(16)15(2)8-11-5-4-6-18-9-11/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyJVDIVZYECUEOEL-LLVKDONJSA-N
MW283.39 g/mol
LogP2.56
Rot. Bonds4

About 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide

3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 97213639) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide
PubChem CID97213639
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N(C)C[C@H]1CCCOC1
InChIInChI=1S/C14H21NO3S/c1-10-7-12(17-3)13(19-10)14(16)15(2)8-11-5-4-6-18-9-11/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyJVDIVZYECUEOEL-LLVKDONJSA-N
XLogP2.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 56790599
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 72013954
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 72014074
(4-Cyclopropylpiperazin-1-yl)-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 72014113
1-(5-Methylthiophene-2-carbonyl)-4-(2-phenoxyethyl)piperidine
CID 53150687
(3R*,4R*)-4-ethyl-1-[(3-methoxy-5-methyl-2-thienyl)carbonyl]piperidine-3,4-diol
CID 70772159
3-methoxy-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 77079580
3-methoxy-5-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
CID 95381020
5-(Difluoromethyl)-3-(1-methylpiperidin-4-yl)oxythiophene-2-carboxamide
CID 176084448
3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 56790566
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-(4-methylazepan-1-yl)methanone
CID 60315398
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-(4-propylazepan-1-yl)methanone
CID 60315581

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide (CID 97213639) is 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide is COc1cc(C)sc1C(=O)N(C)C[C@H]1CCCOC1.
What is the InChIKey of 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is JVDIVZYECUEOEL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-7-12(17-3)13(19-10)14(16)15(2)8-11-5-4-6-18-9-11/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide?
3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 283.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97213639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).