N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide

C20H30N2O4S — CID 32915727

IUPACN,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C20H30N2O4S/c1-15-4-7-17(8-5-15)21(3)20(23)19-14-18(9-6-16(19)2)27(24,25)22-10-12-26-13-11-22/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3
InChIKeyJCEHUYHZBLMWPS-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.67
Rot. Bonds4

About N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide

N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 32915727) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID32915727
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C20H30N2O4S/c1-15-4-7-17(8-5-15)21(3)20(23)19-14-18(9-6-16(19)2)27(24,25)22-10-12-26-13-11-22/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3
InChIKeyJCEHUYHZBLMWPS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
5-(ethylsulfamoyl)-N,2-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 32916846
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide (CID 32915727) is N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JCEHUYHZBLMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-4-7-17(8-5-15)21(3)20(23)19-14-18(9-6-16(19)2)27(24,25)22-10-12-26-13-11-22/h6,9,14-15,17H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 32915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).