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

C12H14N2O3S — CID 78912870

IUPACN-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-3-8-13-9-12(15)14-10-6-4-5-7-11(10)18(2,16)17/h1,4-7,13H,8-9H2,2H3,(H,14,15)
InChIKeyFSLOULXWONPFEA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.25
Rot. Bonds5

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

N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78912870) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78912870
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-3-8-13-9-12(15)14-10-6-4-5-7-11(10)18(2,16)17/h1,4-7,13H,8-9H2,2H3,(H,14,15)
InChIKeyFSLOULXWONPFEA-UHFFFAOYSA-N
XLogP0.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.25
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'}

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Related Compounds

N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79287541
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 78832417
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide (CID 78912870) is N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is FSLOULXWONPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-8-13-9-12(15)14-10-6-4-5-7-11(10)18(2,16)17/h1,4-7,13H,8-9H2,2H3,(H,14,15).
What are the key properties of N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78912870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).