N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C20H22FNOS — CID 134013781

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H22FNOS/c1-15-5-4-6-16(11-15)13-24-14-20(23)22(18-9-10-18)12-17-7-2-3-8-19(17)21/h2-8,11,18H,9-10,12-14H2,1H3
InChIKeyAQYNVTLOMSALGK-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.56
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 134013781) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID134013781
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H22FNOS/c1-15-5-4-6-16(11-15)13-24-14-20(23)22(18-9-10-18)12-17-7-2-3-8-19(17)21/h2-8,11,18H,9-10,12-14H2,1H3
InChIKeyAQYNVTLOMSALGK-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 134013781) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)N(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is AQYNVTLOMSALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c1-15-5-4-6-16(11-15)13-24-14-20(23)22(18-9-10-18)12-17-7-2-3-8-19(17)21/h2-8,11,18H,9-10,12-14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134013781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).