N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide

C13H19FN2OS — CID 113478804

IUPACN-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide
SMILESCSC(C)(C)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2OS/c1-13(2,18-3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyPHVJXXGGTHCETP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.50
Rot. Bonds6

About N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide

N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide (PubChem CID 113478804) has the molecular formula C13H19FN2OS and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide
PubChem CID113478804
Molecular FormulaC13H19FN2OS
Molecular Weight270.37 g/mol
Exact Mass270.12
IUPAC NameN-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide
SMILESCSC(C)(C)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2OS/c1-13(2,18-3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyPHVJXXGGTHCETP-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxy-2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 114941900
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-(3-ethylpentan-3-ylamino)-N-(2-fluorophenyl)acetamide
CID 65039803
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789124
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide (CID 113478804) is N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide is CSC(C)(C)CNCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide?
The InChIKey is PHVJXXGGTHCETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2OS/c1-13(2,18-3)9-15-8-12(17)16-11-7-5-4-6-10(11)14/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide?
N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide has a molecular weight of 270.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide is sourced from PubChem (CID 113478804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).