N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide

C18H26N2O4S — CID 17450266

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-16(19-18(21)15-5-3-2-4-6-15)13-17(14)25(22,23)20-9-11-24-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21)
InChIKeySRDPEKPDHOEKFT-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.53
Rot. Bonds4

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 17450266) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID17450266
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-16(19-18(21)15-5-3-2-4-6-15)13-17(14)25(22,23)20-9-11-24-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21)
InChIKeySRDPEKPDHOEKFT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
CID 146025594
1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide (CID 17450266) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide is Cc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is SRDPEKPDHOEKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-7-8-16(19-18(21)15-5-3-2-4-6-15)13-17(14)25(22,23)20-9-11-24-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3,(H,19,21).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 17450266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).