N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide

C14H20N2O2S — CID 82908618

IUPACN-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-3-18-13-8-10(2)4-5-11(13)16-14(17)12-9-19-7-6-15-12/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyVTAGIXCLRYKFHA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.04
Rot. Bonds4

About N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide

N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82908618) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
PubChem CID82908618
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-3-18-13-8-10(2)4-5-11(13)16-14(17)12-9-19-7-6-15-12/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyVTAGIXCLRYKFHA-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide (CID 82908618) is N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide is CCOc1cc(C)ccc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is VTAGIXCLRYKFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-18-13-8-10(2)4-5-11(13)16-14(17)12-9-19-7-6-15-12/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide?
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).