N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

C24H22N4O6S — CID 24679324

IUPACN-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H22N4O6S/c29-22(25-17-7-8-17)16-5-3-15(4-6-16)13-28(14-18-2-1-11-34-18)35(32,33)19-9-10-20-21(12-19)27-24(31)23(30)26-20/h1-6,9-12,17H,7-8,13-14H2,(H,25,29)(H,26,30)(H,27,31)
InChIKeySUKCFDQHHDRWLI-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.09
Rot. Bonds8

About N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 24679324) has the molecular formula C24H22N4O6S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID24679324
Molecular FormulaC24H22N4O6S
Molecular Weight494.53 g/mol
Exact Mass494.13
IUPAC NameN-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C24H22N4O6S/c29-22(25-17-7-8-17)16-5-3-15(4-6-16)13-28(14-18-2-1-11-34-18)35(32,33)19-9-10-20-21(12-19)27-24(31)23(30)26-20/h1-6,9-12,17H,7-8,13-14H2,(H,25,29)(H,26,30)(H,27,31)
InChIKeySUKCFDQHHDRWLI-UHFFFAOYSA-N
XLogP2.09
TPSA145.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679300
N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679312
4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 24679296
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 24679324) is N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is SUKCFDQHHDRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S/c29-22(25-17-7-8-17)16-5-3-15(4-6-16)13-28(14-18-2-1-11-34-18)35(32,33)19-9-10-20-21(12-19)27-24(31)23(30)26-20/h1-6,9-12,17H,7-8,13-14H2,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 494.53 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 24679324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).