5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide

C19H22N2O4S — CID 9350231

IUPAC5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H22N2O4S/c1-14-7-5-6-10-17(14)20-21-19(22)18-12-11-15(25-18)13-26(23,24)16-8-3-2-4-9-16/h2-4,8-9,11-12,14H,5-7,10,13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyBVOFVAPUYQASQC-AWEZNQCLSA-N
MW374.46 g/mol
LogP3.55
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide (PubChem CID 9350231) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
PubChem CID9350231
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H22N2O4S/c1-14-7-5-6-10-17(14)20-21-19(22)18-12-11-15(25-18)13-26(23,24)16-8-3-2-4-9-16/h2-4,8-9,11-12,14H,5-7,10,13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyBVOFVAPUYQASQC-AWEZNQCLSA-N
XLogP3.55
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide (CID 9350231) is 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide is C[C@H]1CCCCC1=NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide?
The InChIKey is BVOFVAPUYQASQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-7-5-6-10-17(14)20-21-19(22)18-12-11-15(25-18)13-26(23,24)16-8-3-2-4-9-16/h2-4,8-9,11-12,14H,5-7,10,13H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 9350231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).