(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C17H24N2O5S — CID 6298784

IUPAC(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-15(13-20)18-17(21)8-5-14-3-6-16(7-4-14)25(22,23)19-9-11-24-12-10-19/h3-8,15,20H,2,9-13H2,1H3,(H,18,21)/b8-5+
InChIKeyKFSRLHUVIZLJRH-VMPITWQZSA-N
MW368.46 g/mol
LogP0.61
Rot. Bonds7

About (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6298784) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6298784
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-15(13-20)18-17(21)8-5-14-3-6-16(7-4-14)25(22,23)19-9-11-24-12-10-19/h3-8,15,20H,2,9-13H2,1H3,(H,18,21)/b8-5+
InChIKeyKFSRLHUVIZLJRH-VMPITWQZSA-N
XLogP0.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6298784) is (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is CCC(CO)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is KFSRLHUVIZLJRH-VMPITWQZSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-15(13-20)18-17(21)8-5-14-3-6-16(7-4-14)25(22,23)19-9-11-24-12-10-19/h3-8,15,20H,2,9-13H2,1H3,(H,18,21)/b8-5+.
What are the key properties of (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 368.46 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6298784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).