N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide

C18H26N2O4S — CID 4546258

IUPACN-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-5-7-16(8-6-14)19-18(21)15-3-2-4-17(13-15)25(22,23)20-9-11-24-12-10-20/h2-4,13-14,16H,5-12H2,1H3,(H,19,21)
InChIKeyXMZORKVKWBIOKQ-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.02
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide

N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4546258) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4546258
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-5-7-16(8-6-14)19-18(21)15-3-2-4-17(13-15)25(22,23)20-9-11-24-12-10-20/h2-4,13-14,16H,5-12H2,1H3,(H,19,21)
InChIKeyXMZORKVKWBIOKQ-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699481
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061050
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-[3-methyl-1-[(1-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 55387235
N-[(2S)-1-[2-[2-(cyclopropylamino)-2-oxoacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 55943071

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide (CID 4546258) is N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide is CC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XMZORKVKWBIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-5-7-16(8-6-14)19-18(21)15-3-2-4-17(13-15)25(22,23)20-9-11-24-12-10-20/h2-4,13-14,16H,5-12H2,1H3,(H,19,21).
What are the key properties of N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4546258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).