cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

C19H27NO4S — CID 75981739

IUPACcyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4S/c1-3-20(4-2)25(22,23)18-13-10-16(11-14-18)12-15-19(21)24-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3
InChIKeyDPEAHAWVVXTNFE-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.61
Rot. Bonds7

About cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 75981739) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
PubChem CID75981739
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Namecyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4S/c1-3-20(4-2)25(22,23)18-13-10-16(11-14-18)12-15-19(21)24-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3
InChIKeyDPEAHAWVVXTNFE-UHFFFAOYSA-N
XLogP3.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6116132
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(4-tert-butylphenyl) 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 3978081
2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 4566695
cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 24554790
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 41144436
4-[(E)-3-(2-cyclohexylimino-1-pyridinyl)-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 16605071
(2-amino-2-oxo-1-phenylethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16596571
(5-fluoro-2-methoxyphenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815996
cyclohexyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 52540229
(3-cyanophenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815990
[2-(4-ethoxyphenyl)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 31114886

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (CID 75981739) is cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is DPEAHAWVVXTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-3-20(4-2)25(22,23)18-13-10-16(11-14-18)12-15-19(21)24-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3.
What are the key properties of cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 365.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 75981739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).