5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide

C20H18N4O4S — CID 55727924

IUPAC5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H18N4O4S/c21-13-15-5-4-10-22-19(15)23-11-12-24-20(25)18-9-8-16(28-18)14-29(26,27)17-6-2-1-3-7-17/h1-10H,11-12,14H2,(H,22,23)(H,24,25)
InChIKeyAVQHBJXQSWZGTI-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.36
Rot. Bonds8

About 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide (PubChem CID 55727924) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
PubChem CID55727924
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H18N4O4S/c21-13-15-5-4-10-22-19(15)23-11-12-24-20(25)18-9-8-16(28-18)14-29(26,27)17-6-2-1-3-7-17/h1-10H,11-12,14H2,(H,22,23)(H,24,25)
InChIKeyAVQHBJXQSWZGTI-UHFFFAOYSA-N
XLogP2.36
TPSA125.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 55729309
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide (CID 55727924) is 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide is N#Cc1cccnc1NCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is AVQHBJXQSWZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c21-13-15-5-4-10-22-19(15)23-11-12-24-20(25)18-9-8-16(28-18)14-29(26,27)17-6-2-1-3-7-17/h1-10H,11-12,14H2,(H,22,23)(H,24,25).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55727924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).