N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide

C20H20N4O3S — CID 55737335

IUPACN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-17-5-1-2-6-18(17)23-19)22-13-15-7-9-16(10-8-15)28(26,27)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeyMUTQBHIANQOOAV-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.34
Rot. Bonds5

About N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide (PubChem CID 55737335) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
PubChem CID55737335
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-17-5-1-2-6-18(17)23-19)22-13-15-7-9-16(10-8-15)28(26,27)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeyMUTQBHIANQOOAV-UHFFFAOYSA-N
XLogP2.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55737221
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide (CID 55737335) is N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is MUTQBHIANQOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(19-14-21-17-5-1-2-6-18(17)23-19)22-13-15-7-9-16(10-8-15)28(26,27)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25).
What are the key properties of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide?
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 55737335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).