N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide

C18H25N3O4S — CID 166404561

IUPACN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C18H25N3O4S/c1-2-18(22)19-16-14-15(26(23,24)21-10-12-25-13-11-21)6-7-17(16)20-8-4-3-5-9-20/h2,6-7,14H,1,3-5,8-13H2,(H,19,22)
InChIKeyGCPDLQAVSRDNSM-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.82
Rot. Bonds5

About N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide

N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 166404561) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID166404561
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C18H25N3O4S/c1-2-18(22)19-16-14-15(26(23,24)21-10-12-25-13-11-21)6-7-17(16)20-8-4-3-5-9-20/h2,6-7,14H,1,3-5,8-13H2,(H,19,22)
InChIKeyGCPDLQAVSRDNSM-UHFFFAOYSA-N
XLogP1.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 55736429
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide (CID 166404561) is N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is GCPDLQAVSRDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-2-18(22)19-16-14-15(26(23,24)21-10-12-25-13-11-21)6-7-17(16)20-8-4-3-5-9-20/h2,6-7,14H,1,3-5,8-13H2,(H,19,22).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide?
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 379.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 166404561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).