N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide

C20H30N2O4S — CID 5067748

IUPACN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C20H30N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-11-9-17(10-12-19)20(23)21(3)18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3
InChIKeyVGDLFVMQUHPTEW-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.89
Rot. Bonds4

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

N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (PubChem CID 5067748) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
PubChem CID5067748
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C20H30N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-11-9-17(10-12-19)20(23)21(3)18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3
InChIKeyVGDLFVMQUHPTEW-UHFFFAOYSA-N
XLogP2.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 146048142
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
4-(4-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 26773685

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (CID 5067748) is N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC(C)O1.
What is the InChIKey of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The InChIKey is VGDLFVMQUHPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-11-9-17(10-12-19)20(23)21(3)18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3.
What are the key properties of N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 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)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 5067748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).