N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide

C14H22N2O4S — CID 107751430

IUPACN-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-3-4-5-8-21(18,19)10-14(17)16-12-9-11(15)6-7-13(12)20-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeySJKUKFSJHHMBNG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.82
Rot. Bonds8

About N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide

N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide (PubChem CID 107751430) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
PubChem CID107751430
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-3-4-5-8-21(18,19)10-14(17)16-12-9-11(15)6-7-13(12)20-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeySJKUKFSJHHMBNG-UHFFFAOYSA-N
XLogP1.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446245
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 96694836
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide (CID 107751430) is N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide is CCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide?
The InChIKey is SJKUKFSJHHMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-4-5-8-21(18,19)10-14(17)16-12-9-11(15)6-7-13(12)20-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide?
N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide has a molecular weight of 314.41 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide is sourced from PubChem (CID 107751430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).