N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

C19H16F2N2O2S — CID 2141691

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc12
InChIInChI=1S/C19H16F2N2O2S/c1-12-10-18(23-16-5-3-2-4-15(12)16)26-11-17(24)22-13-6-8-14(9-7-13)25-19(20)21/h2-10,19H,11H2,1H3,(H,22,24)
InChIKeyNSBMZWGEWBJXAM-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.88
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2141691) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2141691
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc12
InChIInChI=1S/C19H16F2N2O2S/c1-12-10-18(23-16-5-3-2-4-15(12)16)26-11-17(24)22-13-6-8-14(9-7-13)25-19(20)21/h2-10,19H,11H2,1H3,(H,22,24)
InChIKeyNSBMZWGEWBJXAM-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2141691) is N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is NSBMZWGEWBJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-12-10-18(23-16-5-3-2-4-15(12)16)26-11-17(24)22-13-6-8-14(9-7-13)25-19(20)21/h2-10,19H,11H2,1H3,(H,22,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 374.41 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2141691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).