N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide

C17H28N2O4S — CID 113057022

IUPACN-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide
SMILESCCCCCN(CCNS(=O)(=O)c1ccc(OC)cc1C)C(C)=O
InChIInChI=1S/C17H28N2O4S/c1-5-6-7-11-19(15(3)20)12-10-18-24(21,22)17-9-8-16(23-4)13-14(17)2/h8-9,13,18H,5-7,10-12H2,1-4H3
InChIKeyJADBLXDXMISXEQ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.32
Rot. Bonds10

About N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide

N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide (PubChem CID 113057022) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide
PubChem CID113057022
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide
SMILESCCCCCN(CCNS(=O)(=O)c1ccc(OC)cc1C)C(C)=O
InChIInChI=1S/C17H28N2O4S/c1-5-6-7-11-19(15(3)20)12-10-18-24(21,22)17-9-8-16(23-4)13-14(17)2/h8-9,13,18H,5-7,10-12H2,1-4H3
InChIKeyJADBLXDXMISXEQ-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053358
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
N-butyl-N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052499
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052480
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide?
The IUPAC name of N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide (CID 113057022) is N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide.
What is the SMILES notation for N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide?
The canonical SMILES for N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide is CCCCCN(CCNS(=O)(=O)c1ccc(OC)cc1C)C(C)=O.
What is the InChIKey of N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide?
The InChIKey is JADBLXDXMISXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-6-7-11-19(15(3)20)12-10-18-24(21,22)17-9-8-16(23-4)13-14(17)2/h8-9,13,18H,5-7,10-12H2,1-4H3.
What are the key properties of N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide?
N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide has a molecular weight of 356.49 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide is sourced from PubChem (CID 113057022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).