N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide

C14H22N2O4S — CID 110358600

IUPACN-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCNC(C)=O
InChIInChI=1S/C14H22N2O4S/c1-11-6-7-13(20-3)14(10-11)21(18,19)16-9-5-4-8-15-12(2)17/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyCKNSJUSSQULOSL-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.20
Rot. Bonds8

About N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide

N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide (PubChem CID 110358600) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
PubChem CID110358600
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCNC(C)=O
InChIInChI=1S/C14H22N2O4S/c1-11-6-7-13(20-3)14(10-11)21(18,19)16-9-5-4-8-15-12(2)17/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyCKNSJUSSQULOSL-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052336

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide?
The IUPAC name of N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide (CID 110358600) is N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide.
What is the SMILES notation for N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide?
The canonical SMILES for N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide is COc1ccc(C)cc1S(=O)(=O)NCCCCNC(C)=O.
What is the InChIKey of N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide?
The InChIKey is CKNSJUSSQULOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-6-7-13(20-3)14(10-11)21(18,19)16-9-5-4-8-15-12(2)17/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide?
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide is sourced from PubChem (CID 110358600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).