N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

C21H23NO4S — CID 29133111

IUPACN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C21H23NO4S/c23-21(19-20(27-13-12-26-19)16-6-2-1-3-7-16)22(14-17-8-4-10-24-17)15-18-9-5-11-25-18/h1-4,6-8,10,18H,5,9,11-15H2/t18-/m1/s1
InChIKeyQQYJEDHYCOPDNR-GOSISDBHSA-N
MW385.49 g/mol
LogP3.92
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 29133111) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID29133111
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C[C@H]1CCCO1
InChIInChI=1S/C21H23NO4S/c23-21(19-20(27-13-12-26-19)16-6-2-1-3-7-16)22(14-17-8-4-10-24-17)15-18-9-5-11-25-18/h1-4,6-8,10,18H,5,9,11-15H2/t18-/m1/s1
InChIKeyQQYJEDHYCOPDNR-GOSISDBHSA-N
XLogP3.92
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236889
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236890
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 29133111) is N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C[C@H]1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is QQYJEDHYCOPDNR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO4S/c23-21(19-20(27-13-12-26-19)16-6-2-1-3-7-16)22(14-17-8-4-10-24-17)15-18-9-5-11-25-18/h1-4,6-8,10,18H,5,9,11-15H2/t18-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 29133111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).