N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C17H28N2O5S — CID 3631623

IUPACN-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(OC)OC
InChIInChI=1S/C17H28N2O5S/c1-6-13(3)16(17(20)18-11-15(23-4)24-5)19-25(21,22)14-9-7-12(2)8-10-14/h7-10,13,15-16,19H,6,11H2,1-5H3,(H,18,20)
InChIKeyIYDULHGYSSHJNA-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.42
Rot. Bonds10

About N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 3631623) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID3631623
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(OC)OC
InChIInChI=1S/C17H28N2O5S/c1-6-13(3)16(17(20)18-11-15(23-4)24-5)19-25(21,22)14-9-7-12(2)8-10-14/h7-10,13,15-16,19H,6,11H2,1-5H3,(H,18,20)
InChIKeyIYDULHGYSSHJNA-UHFFFAOYSA-N
XLogP1.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 3631623) is N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is IYDULHGYSSHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-6-13(3)16(17(20)18-11-15(23-4)24-5)19-25(21,22)14-9-7-12(2)8-10-14/h7-10,13,15-16,19H,6,11H2,1-5H3,(H,18,20).
What are the key properties of N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 372.49 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 3631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).