N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide

C19H27N3O4S — CID 42948466

IUPACN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C19H27N3O4S/c1-2-20-17-9-8-16(27(24,25)22-10-12-26-13-11-22)14-18(17)21-19(23)15-6-4-3-5-7-15/h3-4,8-9,14-15,20H,2,5-7,10-13H2,1H3,(H,21,23)
InChIKeyGRUWRAXBFIMTAP-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide

N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42948466) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide
PubChem CID42948466
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C19H27N3O4S/c1-2-20-17-9-8-16(27(24,25)22-10-12-26-13-11-22)14-18(17)21-19(23)15-6-4-3-5-7-15/h3-4,8-9,14-15,20H,2,5-7,10-13H2,1H3,(H,21,23)
InChIKeyGRUWRAXBFIMTAP-UHFFFAOYSA-N
XLogP2.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119680614
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide
CID 25342748
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
3-cyclopentyl-N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 25336261
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 119268085
N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide
CID 4831808

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide (CID 42948466) is N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide is CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC=CCC1.
What is the InChIKey of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GRUWRAXBFIMTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-2-20-17-9-8-16(27(24,25)22-10-12-26-13-11-22)14-18(17)21-19(23)15-6-4-3-5-7-15/h3-4,8-9,14-15,20H,2,5-7,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide?
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42948466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).