N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide

C13H16N2O3S — CID 102553019

IUPACN-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CSC(C)C(=O)N2)cc1
InChIInChI=1S/C13H16N2O3S/c1-8-12(16)15-11(7-19-8)13(17)14-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQPHZXJBGEPHLQR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.25
Rot. Bonds3

About N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide

N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 102553019) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide
PubChem CID102553019
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CSC(C)C(=O)N2)cc1
InChIInChI=1S/C13H16N2O3S/c1-8-12(16)15-11(7-19-8)13(17)14-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQPHZXJBGEPHLQR-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-6-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 41002234
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-(4-methoxyphenyl)thiolane-2-carboxamide
CID 110860067
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107355881
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
(3R,9bS)-N-(4-methoxyphenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 915559
N-(4-methoxyphenyl)-2-oxo-5-phenylpyrrolidine-3-carboxamide
CID 168869833
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide (CID 102553019) is N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide is COc1ccc(NC(=O)C2CSC(C)C(=O)N2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is QPHZXJBGEPHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-12(16)15-11(7-19-8)13(17)14-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide?
N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 102553019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).