N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide

C13H17FN2OS — CID 79941370

IUPACN-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CSC(C)C2)ccc1F
InChIInChI=1S/C13H17FN2OS/c1-8-5-11(7-18-8)16-10-3-4-12(14)13(6-10)15-9(2)17/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,17)
InChIKeyMKDPTEQRXYINQS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds3

About N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide

N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide (PubChem CID 79941370) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
PubChem CID79941370
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CSC(C)C2)ccc1F
InChIInChI=1S/C13H17FN2OS/c1-8-5-11(7-18-8)16-10-3-4-12(14)13(6-10)15-9(2)17/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,17)
InChIKeyMKDPTEQRXYINQS-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
CID 79941342
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[3-[(5,5-dimethylthian-3-yl)amino]-4-fluorophenyl]acetamide
CID 79956147

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide (CID 79941370) is N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CSC(C)C2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The InChIKey is MKDPTEQRXYINQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-8-5-11(7-18-8)16-10-3-4-12(14)13(6-10)15-9(2)17/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79941370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).