N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide

C16H23FN2OS — CID 91838890

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)C1CCSCC1
InChIInChI=1S/C16H23FN2OS/c1-19(15-7-10-21-11-8-15)12-16(20)18-9-6-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20)
InChIKeyDKMXVFIKUZFSMB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide (PubChem CID 91838890) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide
PubChem CID91838890
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)C1CCSCC1
InChIInChI=1S/C16H23FN2OS/c1-19(15-7-10-21-11-8-15)12-16(20)18-9-6-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20)
InChIKeyDKMXVFIKUZFSMB-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51182965
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]acetamide
CID 91836143
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide (CID 91838890) is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)C1CCSCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide?
The InChIKey is DKMXVFIKUZFSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-19(15-7-10-21-11-8-15)12-16(20)18-9-6-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide is sourced from PubChem (CID 91838890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).