N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide

C19H23FN2OS — CID 97323540

IUPACN-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide
SMILESCSCc1cc(F)ccc1CN[C@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H23FN2OS/c1-13(15-5-4-6-19(10-15)22-14(2)23)21-11-16-7-8-18(20)9-17(16)12-24-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyWHSFKTQWMMDWNX-CYBMUJFWSA-N
MW346.47 g/mol
LogP4.50
Rot. Bonds7

About N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide (PubChem CID 97323540) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide
PubChem CID97323540
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide
SMILESCSCc1cc(F)ccc1CN[C@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H23FN2OS/c1-13(15-5-4-6-19(10-15)22-14(2)23)21-11-16-7-8-18(20)9-17(16)12-24-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyWHSFKTQWMMDWNX-CYBMUJFWSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide (CID 97323540) is N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide is CSCc1cc(F)ccc1CN[C@H](C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide?
The InChIKey is WHSFKTQWMMDWNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-13(15-5-4-6-19(10-15)22-14(2)23)21-11-16-7-8-18(20)9-17(16)12-24-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 97323540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).