(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine

C24H30N4O2S — CID 42320299

IUPAC(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine
SMILESCc1ccccc1CSc1nnc(CN(C)C/C=C/c2ccco2)n1C[C@@H]1CCCO1
InChIInChI=1S/C24H30N4O2S/c1-19-8-3-4-9-20(19)18-31-24-26-25-23(28(24)16-22-12-7-15-30-22)17-27(2)13-5-10-21-11-6-14-29-21/h3-6,8-11,14,22H,7,12-13,15-18H2,1-2H3/b10-5+/t22-/m0/s1
InChIKeyGSHITTLZPVGSOS-FNNZQJQASA-N
MW438.60 g/mol
LogP4.80
Rot. Bonds10

About (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine

(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine (PubChem CID 42320299) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine
PubChem CID42320299
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine
SMILESCc1ccccc1CSc1nnc(CN(C)C/C=C/c2ccco2)n1C[C@@H]1CCCO1
InChIInChI=1S/C24H30N4O2S/c1-19-8-3-4-9-20(19)18-31-24-26-25-23(28(24)16-22-12-7-15-30-22)17-27(2)13-5-10-21-11-6-14-29-21/h3-6,8-11,14,22H,7,12-13,15-18H2,1-2H3/b10-5+/t22-/m0/s1
InChIKeyGSHITTLZPVGSOS-FNNZQJQASA-N
XLogP4.80
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-(5-methylfuran-2-yl)-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 26350144
N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 42482905
N-methyl-1-(5-methylfuran-2-yl)-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 45244758
1-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 25296096
4-chloro-2-[[methyl-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]amino]methyl]phenol
CID 26345375
1-(3-methoxyphenyl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 42501890
N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]-1-quinoxalin-6-ylmethanamine
CID 26337620
2-methoxy-6-[[methyl-[[5-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]phenol
CID 118755338
1-(3-methoxyphenyl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 45208451
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 26351945
(E)-N-methyl-N-[[5-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-en-1-amine
CID 26334682
3-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 19716151

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine (CID 42320299) is (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine is Cc1ccccc1CSc1nnc(CN(C)C/C=C/c2ccco2)n1C[C@@H]1CCCO1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine?
The InChIKey is GSHITTLZPVGSOS-FNNZQJQASA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-19-8-3-4-9-20(19)18-31-24-26-25-23(28(24)16-22-12-7-15-30-22)17-27(2)13-5-10-21-11-6-14-29-21/h3-6,8-11,14,22H,7,12-13,15-18H2,1-2H3/b10-5+/t22-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine?
(E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine has a molecular weight of 438.60 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 42320299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).