N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide

C13H16N2O3S — CID 79287541

IUPACN-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H16N2O3S/c1-3-9-14-10-13(16)15-11-7-5-6-8-12(11)19(17,18)4-2/h1,5-8,14H,4,9-10H2,2H3,(H,15,16)
InChIKeyUJXJFSPLBHCQLZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.64
Rot. Bonds6

About N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide

N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287541) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287541
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H16N2O3S/c1-3-9-14-10-13(16)15-11-7-5-6-8-12(11)19(17,18)4-2/h1,5-8,14H,4,9-10H2,2H3,(H,15,16)
InChIKeyUJXJFSPLBHCQLZ-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)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

N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912870
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60850903
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide (CID 79287541) is N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccccc1S(=O)(=O)CC.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is UJXJFSPLBHCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-9-14-10-13(16)15-11-7-5-6-8-12(11)19(17,18)4-2/h1,5-8,14H,4,9-10H2,2H3,(H,15,16).
What are the key properties of N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 280.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).