N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide

C23H36N2O4S2 — CID 18713954

IUPACN-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
SMILESC=C(C)S(=O)(=O)NCCc1ccc(C2=CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H36N2O4S2/c1-17(2)30(26,27)24-15-14-20-6-8-22(9-7-20)23-12-10-21(11-13-23)19(5)16-25-31(28,29)18(3)4/h6-9,12,18-19,21,24-25H,1,10-11,13-16H2,2-5H3
InChIKeyCOZKSSSMWZLSTB-UHFFFAOYSA-N
MW468.69 g/mol
LogP3.83
Rot. Bonds11

About N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide

N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide (PubChem CID 18713954) has the molecular formula C23H36N2O4S2 and a molecular weight of 468.69 g/mol. Its IUPAC name is N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
PubChem CID18713954
Molecular FormulaC23H36N2O4S2
Molecular Weight468.69 g/mol
Exact Mass468.21
IUPAC NameN-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
SMILESC=C(C)S(=O)(=O)NCCc1ccc(C2=CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H36N2O4S2/c1-17(2)30(26,27)24-15-14-20-6-8-22(9-7-20)23-12-10-21(11-13-23)19(5)16-25-31(28,29)18(3)4/h6-9,12,18-19,21,24-25H,1,10-11,13-16H2,2-5H3
InChIKeyCOZKSSSMWZLSTB-UHFFFAOYSA-N
XLogP3.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.69
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713914
N-[2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexen-1-yl]phenyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18713949
N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18714018
ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene
CID 142137372
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
CID 10114176

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide (CID 18713954) is N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide is C=C(C)S(=O)(=O)NCCc1ccc(C2=CCC(C(C)CNS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The InChIKey is COZKSSSMWZLSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S2/c1-17(2)30(26,27)24-15-14-20-6-8-22(9-7-20)23-12-10-21(11-13-23)19(5)16-25-31(28,29)18(3)4/h6-9,12,18-19,21,24-25H,1,10-11,13-16H2,2-5H3.
What are the key properties of N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide has a molecular weight of 468.69 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18713954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).