2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide

C12H18FN3O3S — CID 112993422

IUPAC2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H18FN3O3S/c1-16(2)20(18,19)15-9-12(17)14-8-7-10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3,(H,14,17)
InChIKeyGEFUNYZTMFIOSY-UHFFFAOYSA-N
MW303.36 g/mol
LogP-0.12
Rot. Bonds7

About 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 112993422) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID112993422
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H18FN3O3S/c1-16(2)20(18,19)15-9-12(17)14-8-7-10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3,(H,14,17)
InChIKeyGEFUNYZTMFIOSY-UHFFFAOYSA-N
XLogP-0.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 112993422) is 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide is CN(C)S(=O)(=O)NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is GEFUNYZTMFIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-16(2)20(18,19)15-9-12(17)14-8-7-10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 112993422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).