N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide

C14H20N2O4S2 — CID 6471819

IUPACN-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1OC
InChIInChI=1S/C14H20N2O4S2/c1-3-15-14(17)12-10-11(4-5-13(12)20-2)22(18,19)16-6-8-21-9-7-16/h4-5,10H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyAZUKOQVDWNXTJR-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.18
Rot. Bonds5

About N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide

N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 6471819) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID6471819
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1OC
InChIInChI=1S/C14H20N2O4S2/c1-3-15-14(17)12-10-11(4-5-13(12)20-2)22(18,19)16-6-8-21-9-7-16/h4-5,10H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyAZUKOQVDWNXTJR-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide (CID 6471819) is N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide is CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is AZUKOQVDWNXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-3-15-14(17)12-10-11(4-5-13(12)20-2)22(18,19)16-6-8-21-9-7-16/h4-5,10H,3,6-9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 344.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6471819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).