N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide

C19H22N2O2S — CID 100686493

IUPACN-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1NC[C@H]1CCC=CO1)C(=O)c1cccs1
InChIInChI=1S/C19H22N2O2S/c1-21(19(22)18-10-6-12-24-18)14-15-7-2-3-9-17(15)20-13-16-8-4-5-11-23-16/h2-3,5-7,9-12,16,20H,4,8,13-14H2,1H3/t16-/m1/s1
InChIKeyQSLAJVDVXPVFFV-MRXNPFEDSA-N
MW342.46 g/mol
LogP4.12
Rot. Bonds6

About N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide

N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 100686493) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide
PubChem CID100686493
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1NC[C@H]1CCC=CO1)C(=O)c1cccs1
InChIInChI=1S/C19H22N2O2S/c1-21(19(22)18-10-6-12-24-18)14-15-7-2-3-9-17(15)20-13-16-8-4-5-11-23-16/h2-3,5-7,9-12,16,20H,4,8,13-14H2,1H3/t16-/m1/s1
InChIKeyQSLAJVDVXPVFFV-MRXNPFEDSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide (CID 100686493) is N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccccc1NC[C@H]1CCC=CO1)C(=O)c1cccs1.
What is the InChIKey of N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is QSLAJVDVXPVFFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-21(19(22)18-10-6-12-24-18)14-15-7-2-3-9-17(15)20-13-16-8-4-5-11-23-16/h2-3,5-7,9-12,16,20H,4,8,13-14H2,1H3/t16-/m1/s1.
What are the key properties of N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 100686493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).