N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide

C14H20N2O2S — CID 82906498

IUPACN-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2CSCCN2)c1C
InChIInChI=1S/C14H20N2O2S/c1-9-4-5-11(10(2)13(9)18-3)16-14(17)12-8-19-7-6-15-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyOROHLELAQQCUAN-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.96
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide

N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906498) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
PubChem CID82906498
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2CSCCN2)c1C
InChIInChI=1S/C14H20N2O2S/c1-9-4-5-11(10(2)13(9)18-3)16-14(17)12-8-19-7-6-15-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyOROHLELAQQCUAN-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82908618
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
CID 114915571

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide (CID 82906498) is N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide is COc1c(C)ccc(NC(=O)C2CSCCN2)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is OROHLELAQQCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-4-5-11(10(2)13(9)18-3)16-14(17)12-8-19-7-6-15-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide?
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).