N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C19H28N2O4S — CID 4138626

IUPACN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C19H28N2O4S/c1-14-12-21(13-15(2)25-14)26(23,24)18-10-8-16(9-11-18)19(22)20-17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyXSANVVJUSSRLQI-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.55
Rot. Bonds4

About N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 4138626) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID4138626
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C19H28N2O4S/c1-14-12-21(13-15(2)25-14)26(23,24)18-10-8-16(9-11-18)19(22)20-17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyXSANVVJUSSRLQI-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 4138626) is N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)O1.
What is the InChIKey of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is XSANVVJUSSRLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-12-21(13-15(2)25-14)26(23,24)18-10-8-16(9-11-18)19(22)20-17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 4138626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).