N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide

C19H24N2O2S — CID 96540063

IUPACN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
SMILESC[C@@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyLKQRTQSKMULRMX-OAHLLOKOSA-N
MW344.48 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide

N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 96540063) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
PubChem CID96540063
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
SMILESC[C@@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyLKQRTQSKMULRMX-OAHLLOKOSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide (CID 96540063) is N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide is C[C@@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is LKQRTQSKMULRMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(16-5-3-2-4-6-16)21-19(8-10-23-11-9-19)14-20-18(22)17-7-12-24-13-17/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide?
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 96540063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).