3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide

C23H26N2O4S — CID 4283211

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C23H26N2O4S/c26-23(24-22-7-3-5-19-4-1-2-6-21(19)22)13-10-18-8-11-20(12-9-18)30(27,28)25-14-16-29-17-15-25/h1-2,4,6,8-13,22H,3,5,7,14-17H2,(H,24,26)
InChIKeyXLKOIRVCQQSCRO-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide (PubChem CID 4283211) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
PubChem CID4283211
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C23H26N2O4S/c26-23(24-22-7-3-5-19-4-1-2-6-21(19)22)13-10-18-8-11-20(12-9-18)30(27,28)25-14-16-29-17-15-25/h1-2,4,6,8-13,22H,3,5,7,14-17H2,(H,24,26)
InChIKeyXLKOIRVCQQSCRO-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 40834105
(E)-N-(cyclopropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421551
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904558
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2368017
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide (CID 4283211) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCc2ccccc21.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
The InChIKey is XLKOIRVCQQSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c26-23(24-22-7-3-5-19-4-1-2-6-21(19)22)13-10-18-8-11-20(12-9-18)30(27,28)25-14-16-29-17-15-25/h1-2,4,6,8-13,22H,3,5,7,14-17H2,(H,24,26).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide has a molecular weight of 426.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 4283211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).