2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide

C14H18N2O4S — CID 96694836

IUPAC2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CS(=O)(=O)CCCC#N
InChIInChI=1S/C14H18N2O4S/c1-11-5-6-13(20-2)12(9-11)16-14(17)10-21(18,19)8-4-3-7-15/h5-6,9H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyGYLQZECZSJLWGZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.66
Rot. Bonds7

About 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 96694836) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID96694836
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CS(=O)(=O)CCCC#N
InChIInChI=1S/C14H18N2O4S/c1-11-5-6-13(20-2)12(9-11)16-14(17)10-21(18,19)8-4-3-7-15/h5-6,9H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyGYLQZECZSJLWGZ-UHFFFAOYSA-N
XLogP1.66
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyanopropylsulfonyl)-N-(2,4-dimethylphenyl)acetamide
CID 82183116
2-(3-cyanopropylsulfonyl)-N-(2,3-dimethylphenyl)acetamide
CID 82183117
1-(2-cyanoethyl)-3-(2-methoxy-5-methylphenyl)-1-methylurea
CID 3859282
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
CID 107751430
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 96694836) is 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CS(=O)(=O)CCCC#N.
What is the InChIKey of 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GYLQZECZSJLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11-5-6-13(20-2)12(9-11)16-14(17)10-21(18,19)8-4-3-7-15/h5-6,9H,3-4,8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 96694836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).