N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H19N5O4S — CID 5430492

IUPACN-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H19N5O4S/c1-15-20(26-12-6-5-9-19(26)24-15)21(27)25-22-13-16-10-11-17(30-16)14-23-31(28,29)18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,25,27)/b22-13-
InChIKeyPMRPBSDZFDYUNH-XKZIYDEJSA-N
MW437.48 g/mol
LogP2.48
Rot. Bonds7

About N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5430492) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5430492
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC NameN-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H19N5O4S/c1-15-20(26-12-6-5-9-19(26)24-15)21(27)25-22-13-16-10-11-17(30-16)14-23-31(28,29)18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,25,27)/b22-13-
InChIKeyPMRPBSDZFDYUNH-XKZIYDEJSA-N
XLogP2.48
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 5430492) is N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PMRPBSDZFDYUNH-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-15-20(26-12-6-5-9-19(26)24-15)21(27)25-22-13-16-10-11-17(30-16)14-23-31(28,29)18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,25,27)/b22-13-.
What are the key properties of N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5430492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).