N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

C16H11F3N4O3S2 — CID 55874116

IUPACN-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(CSc1nncs1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O3S2/c17-16(18,19)11-5-10(21-14(25)9-3-4-26-6-9)1-2-12(11)22-13(24)7-27-15-23-20-8-28-15/h1-6,8H,7H2,(H,21,25)(H,22,24)
InChIKeyGUTDOMRQUIIUNS-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 55874116) has the molecular formula C16H11F3N4O3S2 and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID55874116
Molecular FormulaC16H11F3N4O3S2
Molecular Weight428.42 g/mol
Exact Mass428.02
IUPAC NameN-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(CSc1nncs1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O3S2/c17-16(18,19)11-5-10(21-14(25)9-3-4-26-6-9)1-2-12(11)22-13(24)7-27-15-23-20-8-28-15/h1-6,8H,7H2,(H,21,25)(H,22,24)
InChIKeyGUTDOMRQUIIUNS-UHFFFAOYSA-N
XLogP4.13
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781962
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4118004

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 55874116) is N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is O=C(CSc1nncs1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is GUTDOMRQUIIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3S2/c17-16(18,19)11-5-10(21-14(25)9-3-4-26-6-9)1-2-12(11)22-13(24)7-27-15-23-20-8-28-15/h1-6,8H,7H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 55874116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).