N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide

C11H13F2NOS — CID 170047939

IUPACN-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)(F)F)cc1C
InChIInChI=1S/C11H13F2NOS/c1-7-6-9(16-11(3,12)13)4-5-10(7)14-8(2)15/h4-6H,1-3H3,(H,14,15)
InChIKeyHKCBXFILWXYJHE-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide

N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide (PubChem CID 170047939) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
PubChem CID170047939
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC NameN-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)(F)F)cc1C
InChIInChI=1S/C11H13F2NOS/c1-7-6-9(16-11(3,12)13)4-5-10(7)14-8(2)15/h4-6H,1-3H3,(H,14,15)
InChIKeyHKCBXFILWXYJHE-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
CID 119765605
N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide
CID 163508835
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
1-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078793

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide?
The IUPAC name of N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide (CID 170047939) is N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide is CC(=O)Nc1ccc(SC(C)(F)F)cc1C.
What is the InChIKey of N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide?
The InChIKey is HKCBXFILWXYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c1-7-6-9(16-11(3,12)13)4-5-10(7)14-8(2)15/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide?
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 170047939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).