N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide

C14H20N2O3S — CID 82916253

IUPACN-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CSCCN2)c(OC)c1
InChIInChI=1S/C14H20N2O3S/c1-18-11-4-3-10(13(7-11)19-2)8-16-14(17)12-9-20-6-5-15-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyDWMQRUAYRHIATF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82916253) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
PubChem CID82916253
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CSCCN2)c(OC)c1
InChIInChI=1S/C14H20N2O3S/c1-18-11-4-3-10(13(7-11)19-2)8-16-14(17)12-9-20-6-5-15-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyDWMQRUAYRHIATF-UHFFFAOYSA-N
XLogP1.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279598
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide (CID 82916253) is N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide is COc1ccc(CNC(=O)C2CSCCN2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is DWMQRUAYRHIATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-18-11-4-3-10(13(7-11)19-2)8-16-14(17)12-9-20-6-5-15-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).