[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate

C23H23NO5S — CID 4277765

IUPAC[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-30(26,27)29-19-11-9-17(10-12-19)15-24(16-20-8-5-13-28-20)23(25)22-14-21(22)18-6-3-2-4-7-18/h2-13,21-22H,14-16H2,1H3
InChIKeyVSCNBKJXDDXRQR-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.95
Rot. Bonds8

About [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate

[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate (PubChem CID 4277765) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate.

Molecular Properties

Compound Name[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate
PubChem CID4277765
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-30(26,27)29-19-11-9-17(10-12-19)15-24(16-20-8-5-13-28-20)23(25)22-14-21(22)18-6-3-2-4-7-18/h2-13,21-22H,14-16H2,1H3
InChIKeyVSCNBKJXDDXRQR-UHFFFAOYSA-N
XLogP3.95
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate 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

N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
[4-[[3-methylbutyl-[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] methanesulfonate
CID 11903387
[4-[[2-methylpropyl-[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] methanesulfonate
CID 11891391
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
cis-(1S,2R)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 93109865
[4-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3367007
trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 93110246
3-[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 67663893
[4-[[furan-2-ylmethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4197444
[4-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 3278573
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4145732
2,4-bis[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid
CID 19048170

Frequently Asked Questions

What is the IUPAC name of [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate?
The IUPAC name of [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate (CID 4277765) is [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate.
What is the SMILES notation for [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate?
The canonical SMILES for [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate is CS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)C2CC2c2ccccc2)cc1.
What is the InChIKey of [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate?
The InChIKey is VSCNBKJXDDXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-30(26,27)29-19-11-9-17(10-12-19)15-24(16-20-8-5-13-28-20)23(25)22-14-21(22)18-6-3-2-4-7-18/h2-13,21-22H,14-16H2,1H3.
What are the key properties of [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate?
[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate has a molecular weight of 425.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate is sourced from PubChem (CID 4277765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).