N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C17H26N2O3S — CID 4526000

IUPACN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-7-9-15(10-8-13)23(21,22)18-12-11-17(20)19-16-6-4-3-5-14(16)2/h7-10,14,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyXCEZUOQNCKDDGG-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.36
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4526000) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4526000
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-7-9-15(10-8-13)23(21,22)18-12-11-17(20)19-16-6-4-3-5-14(16)2/h7-10,14,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyXCEZUOQNCKDDGG-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4526000) is N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is XCEZUOQNCKDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-7-9-15(10-8-13)23(21,22)18-12-11-17(20)19-16-6-4-3-5-14(16)2/h7-10,14,16,18H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4526000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).