N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide

C15H14F2N2O3S — CID 2567814

IUPACN-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H14F2N2O3S/c16-15(17)23-11-5-3-10(4-6-11)19-13(20)7-8-18-14(21)12-2-1-9-22-12/h1-6,9,15H,7-8H2,(H,18,21)(H,19,20)
InChIKeyNETHGNRTMARNEJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.35
Rot. Bonds7

About N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2567814) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2567814
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H14F2N2O3S/c16-15(17)23-11-5-3-10(4-6-11)19-13(20)7-8-18-14(21)12-2-1-9-22-12/h1-6,9,15H,7-8H2,(H,18,21)(H,19,20)
InChIKeyNETHGNRTMARNEJ-UHFFFAOYSA-N
XLogP3.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide (CID 2567814) is N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is NETHGNRTMARNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-15(17)23-11-5-3-10(4-6-11)19-13(20)7-8-18-14(21)12-2-1-9-22-12/h1-6,9,15H,7-8H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2567814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).