N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide

C19H25N3O5S — CID 67194643

IUPACN-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H25N3O5S/c1-2-18(23)20-16-3-5-17(6-4-16)28(25,26)22-9-7-15(8-10-22)19(24)21-11-13-27-14-12-21/h2-6,15H,1,7-14H2,(H,20,23)
InChIKeyJDRMBYLBIMOCFQ-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.07
Rot. Bonds5

About N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide

N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 67194643) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID67194643
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H25N3O5S/c1-2-18(23)20-16-3-5-17(6-4-16)28(25,26)22-9-7-15(8-10-22)19(24)21-11-13-27-14-12-21/h2-6,15H,1,7-14H2,(H,20,23)
InChIKeyJDRMBYLBIMOCFQ-UHFFFAOYSA-N
XLogP1.07
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.07
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

methyl 1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidine-4-carboxylate
CID 67192747
N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938413
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 23879090
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
CID 2144801
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 16828632
N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89236264
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]oxane-4-carboxamide
CID 89237647
morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 3230698

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide (CID 67194643) is N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is JDRMBYLBIMOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-2-18(23)20-16-3-5-17(6-4-16)28(25,26)22-9-7-15(8-10-22)19(24)21-11-13-27-14-12-21/h2-6,15H,1,7-14H2,(H,20,23).
What are the key properties of N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 407.49 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 67194643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).