(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

C18H19FN4O2S — CID 25401808

IUPAC(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILESCC[C@@H](Sc1nnc(-c2ccoc2C)n1C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2S/c1-4-15(17(24)20-13-7-5-12(19)6-8-13)26-18-22-21-16(23(18)3)14-9-10-25-11(14)2/h5-10,15H,4H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyIJATXKNQOWDGNS-OAHLLOKOSA-N
MW374.44 g/mol
LogP4.03
Rot. Bonds6

About (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide (PubChem CID 25401808) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
PubChem CID25401808
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILESCC[C@@H](Sc1nnc(-c2ccoc2C)n1C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2S/c1-4-15(17(24)20-13-7-5-12(19)6-8-13)26-18-22-21-16(23(18)3)14-9-10-25-11(14)2/h5-10,15H,4H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyIJATXKNQOWDGNS-OAHLLOKOSA-N
XLogP4.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 4821798
N-(3,4-difluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51235169
N-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46621323
(2S)-N-(3-chloro-4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8725402
(2S)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 7651552
(2S)-2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide
CID 1310675
2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 2941975
(2S)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 8653555
N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 2941327
(2S)-N-(4-chlorophenyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7651738
(2S)-N-(3,4-difluorophenyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8945293
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8725665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide (CID 25401808) is (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide is CC[C@@H](Sc1nnc(-c2ccoc2C)n1C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The InChIKey is IJATXKNQOWDGNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-4-15(17(24)20-13-7-5-12(19)6-8-13)26-18-22-21-16(23(18)3)14-9-10-25-11(14)2/h5-10,15H,4H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide?
(2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide has a molecular weight of 374.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide is sourced from PubChem (CID 25401808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).