N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C17H24N2O4S — CID 78780527

IUPACN-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCCCNC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-3-10-18-17(20)9-6-15-4-7-16(8-5-15)24(21,22)19-11-13-23-14-12-19/h4-9H,2-3,10-14H2,1H3,(H,18,20)
InChIKeyXMANPBTWWRBMFY-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.64
Rot. Bonds7

About N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 78780527) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID78780527
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCCCNC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-3-10-18-17(20)9-6-15-4-7-16(8-5-15)24(21,22)19-11-13-23-14-12-19/h4-9H,2-3,10-14H2,1H3,(H,18,20)
InChIKeyXMANPBTWWRBMFY-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-butylprop-2-enamide
CID 35742010
N-(3-methylbutyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78288601
propan-2-yl 3-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propanoate
CID 55440480
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6008893
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9300050
(E)-N-(methylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421567
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
CID 30505444
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(diethylamino)propyl]prop-2-enamide
CID 5137889
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 76859723
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2336227
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 78780527) is N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is CCCCNC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is XMANPBTWWRBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-3-10-18-17(20)9-6-15-4-7-16(8-5-15)24(21,22)19-11-13-23-14-12-19/h4-9H,2-3,10-14H2,1H3,(H,18,20).
What are the key properties of N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 352.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 78780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).