N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide

C14H21NO4S — CID 57381998

IUPACN-(4-acetyl-2-pentoxyphenyl)methanesulfonamide
SMILESCCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-4-5-6-9-19-14-10-12(11(2)16)7-8-13(14)15-20(3,17)18/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyDKCSNRRDNAYJEF-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.83
Rot. Bonds8

About N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide

N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide (PubChem CID 57381998) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-pentoxyphenyl)methanesulfonamide
PubChem CID57381998
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(4-acetyl-2-pentoxyphenyl)methanesulfonamide
SMILESCCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-4-5-6-9-19-14-10-12(11(2)16)7-8-13(14)15-20(3,17)18/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyDKCSNRRDNAYJEF-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide (CID 57381998) is N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide is CCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide?
The InChIKey is DKCSNRRDNAYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-5-6-9-19-14-10-12(11(2)16)7-8-13(14)15-20(3,17)18/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide?
N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide is sourced from PubChem (CID 57381998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).