N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C17H21NO3S — CID 899126

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCC1(C)C[C@H](N(Cc2cccs2)C(=O)c2ccco2)CCO1
InChIInChI=1S/C17H21NO3S/c1-17(2)11-13(7-9-21-17)18(12-14-5-4-10-22-14)16(19)15-6-3-8-20-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVPHKPFMBSFROOO-CYBMUJFWSA-N
MW319.43 g/mol
LogP3.94
Rot. Bonds4

About N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 899126) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID899126
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCC1(C)C[C@H](N(Cc2cccs2)C(=O)c2ccco2)CCO1
InChIInChI=1S/C17H21NO3S/c1-17(2)11-13(7-9-21-17)18(12-14-5-4-10-22-14)16(19)15-6-3-8-20-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVPHKPFMBSFROOO-CYBMUJFWSA-N
XLogP3.94
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
CID 166418440
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
CID 39340865
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 5050137
N-cyclopropyl-5-(methoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 78852303
N-cyclopropyl-5-(methylamino)-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 107375295
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 899126) is N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is CC1(C)C[C@H](N(Cc2cccs2)C(=O)c2ccco2)CCO1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is VPHKPFMBSFROOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(2)11-13(7-9-21-17)18(12-14-5-4-10-22-14)16(19)15-6-3-8-20-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 899126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).