N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide

C24H23N5O4S — CID 55467124

IUPACN-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H23N5O4S/c1-16-27-28-24(29(16)17-9-11-18(32-2)12-10-17)34-15-22(30)26-21-8-4-3-7-20(21)23(31)25-14-19-6-5-13-33-19/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyZCOAYVYOPFNXHH-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.84
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide (PubChem CID 55467124) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
PubChem CID55467124
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H23N5O4S/c1-16-27-28-24(29(16)17-9-11-18(32-2)12-10-17)34-15-22(30)26-21-8-4-3-7-20(21)23(31)25-14-19-6-5-13-33-19/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyZCOAYVYOPFNXHH-UHFFFAOYSA-N
XLogP3.84
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 40585253
N-(furan-2-ylmethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1042089
2-[2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 46636930
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
3-[2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenoxy]propanamide
CID 55881104
N-[(4-methoxyphenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2671205
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112804522
N-(2,4-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1131998
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32992933
2-[[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2464167
N-(2-methoxyethyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40656156
2-[[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 3167702

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide (CID 55467124) is N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide is COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is ZCOAYVYOPFNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-27-28-24(29(16)17-9-11-18(32-2)12-10-17)34-15-22(30)26-21-8-4-3-7-20(21)23(31)25-14-19-6-5-13-33-19/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 477.55 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 55467124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).