3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

C24H26N4O4S — CID 46510869

IUPAC3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc2oc(=O)cc(CSc3nnc(CCC(N)=O)n3Cc3ccco3)c2cc1C(C)C
InChIInChI=1S/C24H26N4O4S/c1-14(2)18-11-19-16(10-23(30)32-20(19)9-15(18)3)13-33-24-27-26-22(7-6-21(25)29)28(24)12-17-5-4-8-31-17/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H2,25,29)
InChIKeyYFUGDKDGTVVIIW-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.17
Rot. Bonds9

About 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide (PubChem CID 46510869) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
PubChem CID46510869
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc2oc(=O)cc(CSc3nnc(CCC(N)=O)n3Cc3ccco3)c2cc1C(C)C
InChIInChI=1S/C24H26N4O4S/c1-14(2)18-11-19-16(10-23(30)32-20(19)9-15(18)3)13-33-24-27-26-22(7-6-21(25)29)28(24)12-17-5-4-8-31-17/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H2,25,29)
InChIKeyYFUGDKDGTVVIIW-UHFFFAOYSA-N
XLogP4.17
TPSA117.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 46693934
3-[5-[(4-cyano-2-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 43046121
3-[4-(furan-2-ylmethyl)-5-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CID 46510785
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 30194935
3-[4-(furan-2-ylmethyl)-5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CID 30284166
4-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 27093780
2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium
CID 9264240
3-[5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 43056622
3-[4-(furan-2-ylmethyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CID 31045138
4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 3447481
3-[5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 55516677
3-[4-(furan-2-ylmethyl)-5-[(1R)-1-phenylpropyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CID 52512859

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide (CID 46510869) is 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide is Cc1cc2oc(=O)cc(CSc3nnc(CCC(N)=O)n3Cc3ccco3)c2cc1C(C)C.
What is the InChIKey of 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide?
The InChIKey is YFUGDKDGTVVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-14(2)18-11-19-16(10-23(30)32-20(19)9-15(18)3)13-33-24-27-26-22(7-6-21(25)29)28(24)12-17-5-4-8-31-17/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H2,25,29).
What are the key properties of 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide?
3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide has a molecular weight of 466.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 46510869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).