(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide

C18H22N2O3S — CID 97068224

IUPAC(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-10-14(5-6-15(13)22-2)11-19-18(21)20-7-8-23-16(12-20)17-4-3-9-24-17/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyLDMSVWRGYHUDFK-INIZCTEOSA-N
MW346.45 g/mol
LogP3.35
Rot. Bonds4

About (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide

(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide (PubChem CID 97068224) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
PubChem CID97068224
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-10-14(5-6-15(13)22-2)11-19-18(21)20-7-8-23-16(12-20)17-4-3-9-24-17/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyLDMSVWRGYHUDFK-INIZCTEOSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide (CID 97068224) is (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide is COc1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1C.
What is the InChIKey of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide?
The InChIKey is LDMSVWRGYHUDFK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-10-14(5-6-15(13)22-2)11-19-18(21)20-7-8-23-16(12-20)17-4-3-9-24-17/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide?
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97068224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).