N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C17H24N2O3S — CID 961960

IUPACN-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3,9-12,15H,1,4-8,13H2,2H3,(H,18,20)
InChIKeyBIANFGMYMJWRNP-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.70
Rot. Bonds6

About N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 961960) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID961960
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3,9-12,15H,1,4-8,13H2,2H3,(H,18,20)
InChIKeyBIANFGMYMJWRNP-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
4-[methylsulfonyl(prop-2-enyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30398560
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
methyl 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156039
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 133250474
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 961960) is N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is BIANFGMYMJWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3,9-12,15H,1,4-8,13H2,2H3,(H,18,20).
What are the key properties of N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 336.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 961960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).