N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide

C17H23N3O3S — CID 119761357

IUPACN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)C1CNCCO1
InChIInChI=1S/C17H23N3O3S/c21-16(20-6-9-24-10-7-20)11-13-1-3-14(4-2-13)19-17(22)15-12-18-5-8-23-15/h1-4,15,18H,5-12H2,(H,19,22)
InChIKeyOMUZIPJAPGUCOC-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.73
Rot. Bonds4

About N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide (PubChem CID 119761357) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
PubChem CID119761357
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)C1CNCCO1
InChIInChI=1S/C17H23N3O3S/c21-16(20-6-9-24-10-7-20)11-13-1-3-14(4-2-13)19-17(22)15-12-18-5-8-23-15/h1-4,15,18H,5-12H2,(H,19,22)
InChIKeyOMUZIPJAPGUCOC-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-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

3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
CID 110353088
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120790893
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide (CID 119761357) is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide is O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)C1CNCCO1.
What is the InChIKey of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is OMUZIPJAPGUCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16(20-6-9-24-10-7-20)11-13-1-3-14(4-2-13)19-17(22)15-12-18-5-8-23-15/h1-4,15,18H,5-12H2,(H,19,22).
What are the key properties of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide?
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119761357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).