N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide

C14H20N2O3S — CID 82908280

IUPACN-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-3-11(9-12)16-14(17)13-10-20-8-5-15-13/h2-4,9,13,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyKBLUGYPVLZQWPH-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.36
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide

N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide (PubChem CID 82908280) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
PubChem CID82908280
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-3-11(9-12)16-14(17)13-10-20-8-5-15-13/h2-4,9,13,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyKBLUGYPVLZQWPH-UHFFFAOYSA-N
XLogP1.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-fluoroethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119337978
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide (CID 82908280) is N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide is COCCOc1cccc(NC(=O)C2CSCCN2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is KBLUGYPVLZQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-3-11(9-12)16-14(17)13-10-20-8-5-15-13/h2-4,9,13,15H,5-8,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide?
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).