N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide

C14H19N3O2S — CID 82908719

IUPACN-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CSCCN1
InChIInChI=1S/C14H19N3O2S/c1-17(14(19)12-10-20-8-7-15-12)9-13(18)16-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,18)
InChIKeyISYLPNBQHZFZKS-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.79
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide

N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide (PubChem CID 82908719) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
PubChem CID82908719
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CSCCN1
InChIInChI=1S/C14H19N3O2S/c1-17(14(19)12-10-20-8-7-15-12)9-13(18)16-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,18)
InChIKeyISYLPNBQHZFZKS-UHFFFAOYSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119316827
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
2-[methyl(thiomorpholine-3-carbonyl)amino]benzoic acid
CID 82908223

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide (CID 82908719) is N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1CSCCN1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide?
The InChIKey is ISYLPNBQHZFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(14(19)12-10-20-8-7-15-12)9-13(18)16-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,18).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82908719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).