N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C18H26N2O5S — CID 1107083

IUPACN-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-24-16-8-7-14(18(21)19-15-5-3-2-4-6-15)13-17(16)26(22,23)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21)
InChIKeyAPFOJOLBCOGWDD-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.78
Rot. Bonds5

About N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1107083) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1107083
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-24-16-8-7-14(18(21)19-15-5-3-2-4-6-15)13-17(16)26(22,23)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21)
InChIKeyAPFOJOLBCOGWDD-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 1107083) is N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is APFOJOLBCOGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-24-16-8-7-14(18(21)19-15-5-3-2-4-6-15)13-17(16)26(22,23)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1107083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).