2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide

C18H16F2N2O2S — CID 55934068

IUPAC2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2cccnc2SC(F)F)oc2ccccc12
InChIInChI=1S/C18H16F2N2O2S/c1-10-12-6-3-4-8-14(12)24-15(10)11(2)22-16(23)13-7-5-9-21-17(13)25-18(19)20/h3-9,11,18H,1-2H3,(H,22,23)
InChIKeyVUJHGQUFTSMVFB-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.94
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55934068) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID55934068
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2cccnc2SC(F)F)oc2ccccc12
InChIInChI=1S/C18H16F2N2O2S/c1-10-12-6-3-4-8-14(12)24-15(10)11(2)22-16(23)13-7-5-9-21-17(13)25-18(19)20/h3-9,11,18H,1-2H3,(H,22,23)
InChIKeyVUJHGQUFTSMVFB-UHFFFAOYSA-N
XLogP4.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide (CID 55934068) is 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide is Cc1c(C(C)NC(=O)c2cccnc2SC(F)F)oc2ccccc12.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is VUJHGQUFTSMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c1-10-12-6-3-4-8-14(12)24-15(10)11(2)22-16(23)13-7-5-9-21-17(13)25-18(19)20/h3-9,11,18H,1-2H3,(H,22,23).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55934068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).