(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

C18H24N2O5S — CID 8746747

IUPAC(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O5S/c1-24-17-8-7-15(26(22,23)20-9-11-25-12-10-20)13-16(17)19-18(21)14-5-3-2-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFREFZAACQANZBO-AWEZNQCLSA-N
MW380.47 g/mol
LogP2.01
Rot. Bonds5

About (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 8746747) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID8746747
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O5S/c1-24-17-8-7-15(26(22,23)20-9-11-25-12-10-20)13-16(17)19-18(21)14-5-3-2-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFREFZAACQANZBO-AWEZNQCLSA-N
XLogP2.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide
CID 42948466
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 51518190
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43910041
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (CID 8746747) is (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FREFZAACQANZBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-24-17-8-7-15(26(22,23)20-9-11-25-12-10-20)13-16(17)19-18(21)14-5-3-2-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 8746747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).