N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide

C19H24N2O3S — CID 47789881

IUPACN-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C2CCCCC2)C2CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-2-13-20-25(23,24)18-10-6-7-15(14-18)19(22)21(17-11-12-17)16-8-4-3-5-9-16/h1,6-7,10,14,16-17,20H,3-5,8-9,11-13H2
InChIKeyFZIFJEMVNRICDM-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.54
Rot. Bonds6

About N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide

N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 47789881) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID47789881
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C2CCCCC2)C2CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-2-13-20-25(23,24)18-10-6-7-15(14-18)19(22)21(17-11-12-17)16-8-4-3-5-9-16/h1,6-7,10,14,16-17,20H,3-5,8-9,11-13H2
InChIKeyFZIFJEMVNRICDM-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide
CID 55599290
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297905
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 42922356
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134037675
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide (CID 47789881) is N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CCCCC2)C2CC2)c1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is FZIFJEMVNRICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-13-20-25(23,24)18-10-6-7-15(14-18)19(22)21(17-11-12-17)16-8-4-3-5-9-16/h1,6-7,10,14,16-17,20H,3-5,8-9,11-13H2.
What are the key properties of N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide?
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 47789881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).