[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate

C24H21NO5S — CID 42775438

IUPAC[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H21NO5S/c1-31(27,28)30-20-10-4-7-18(15-20)16-25(17-21-11-6-14-29-21)24(26)23-13-5-9-19-8-2-3-12-22(19)23/h2-15H,16-17H2,1H3
InChIKeyHPZOAZJOEQZIAD-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.61
Rot. Bonds7

About [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate

[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate (PubChem CID 42775438) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate.

Molecular Properties

Compound Name[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
PubChem CID42775438
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Name[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H21NO5S/c1-31(27,28)30-20-10-4-7-18(15-20)16-25(17-21-11-6-14-29-21)24(26)23-13-5-9-19-8-2-3-12-22(19)23/h2-15H,16-17H2,1H3
InChIKeyHPZOAZJOEQZIAD-UHFFFAOYSA-N
XLogP4.61
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 42775425
[3-[[2-methylpropyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 42775414
[3-[[2-chloropropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3496529
[3-[[(3-chloro-2,2-dimethylpropanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 42775429
[3-[[(3-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 5073921
[3-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3655764
[3-[[cyclopropylmethyl(furan-2-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 71956866
[4-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3367007
[3-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3593216
[4-[[(4-fluorophenyl)methyl-(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 4214395
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
[3-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4667822

Frequently Asked Questions

What is the IUPAC name of [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate?
The IUPAC name of [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate (CID 42775438) is [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate.
What is the SMILES notation for [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate?
The canonical SMILES for [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate is CS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate?
The InChIKey is HPZOAZJOEQZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-31(27,28)30-20-10-4-7-18(15-20)16-25(17-21-11-6-14-29-21)24(26)23-13-5-9-19-8-2-3-12-22(19)23/h2-15H,16-17H2,1H3.
What are the key properties of [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate?
[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate has a molecular weight of 435.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate is sourced from PubChem (CID 42775438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).