N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide

C18H28N2O3S — CID 119591550

IUPACN-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-13(2)24(22,23)17-11-7-6-10-15(17)18(21)20-16(12-19)14-8-4-3-5-9-14/h6-7,10-11,13-14,16H,3-5,8-9,12,19H2,1-2H3,(H,20,21)
InChIKeyJFDHKUYKBRFPHA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.51
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide

N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 119591550) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
PubChem CID119591550
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-13(2)24(22,23)17-11-7-6-10-15(17)18(21)20-16(12-19)14-8-4-3-5-9-14/h6-7,10-11,13-14,16H,3-5,8-9,12,19H2,1-2H3,(H,20,21)
InChIKeyJFDHKUYKBRFPHA-UHFFFAOYSA-N
XLogP2.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide (CID 119591550) is N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is JFDHKUYKBRFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13(2)24(22,23)17-11-7-6-10-15(17)18(21)20-16(12-19)14-8-4-3-5-9-14/h6-7,10-11,13-14,16H,3-5,8-9,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide?
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 119591550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).