N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide

C18H26N2O4S — CID 110352360

IUPACN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-13-24-12-11-20(14)25(22,23)17-9-7-16(8-10-17)19-18(21)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyPKCHCNYWSPXPEU-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.61
Rot. Bonds4

About N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide (PubChem CID 110352360) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
PubChem CID110352360
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-13-24-12-11-20(14)25(22,23)17-9-7-16(8-10-17)19-18(21)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyPKCHCNYWSPXPEU-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide (CID 110352360) is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide is CC1COCCN1S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide?
The InChIKey is PKCHCNYWSPXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-13-24-12-11-20(14)25(22,23)17-9-7-16(8-10-17)19-18(21)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide?
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 110352360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).