N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide

C20H21N5O3S — CID 660711

IUPACN-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H21N5O3S/c1-14(26)21-15-8-10-16(11-9-15)29(27,28)24-19-20(25-12-4-5-13-25)23-18-7-3-2-6-17(18)22-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyVMEZJTLZWIBLBM-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.99
Rot. Bonds5

About N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 660711) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID660711
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H21N5O3S/c1-14(26)21-15-8-10-16(11-9-15)29(27,28)24-19-20(25-12-4-5-13-25)23-18-7-3-2-6-17(18)22-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyVMEZJTLZWIBLBM-UHFFFAOYSA-N
XLogP2.99
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfaquinoxaline
CID 5338
Methyl {4-[(2-quinoxalinylamino)sulfonyl]phenyl}carbamate
CID 2165246
N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
CID 2836732
N-{4-[({3-[(4-aminophenyl)amino]-2-quinoxalinyl}amino)sulfonyl]phenyl}acetamide
CID 2314355
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 1069012
N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
4-[[1-(4-Fluorobutyl)benzimidazol-2-yl]methyl]-2-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 23516968
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953863
N-[4-[(3-morpholin-4-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 1910549
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
N-{4-[4-(1H-Benzoimidazol-2-yl)-piperidine-1-sulfonyl]-phenyl}-acetamide
CID 645663

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide (CID 660711) is N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VMEZJTLZWIBLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-14(26)21-15-8-10-16(11-9-15)29(27,28)24-19-20(25-12-4-5-13-25)23-18-7-3-2-6-17(18)22-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 660711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).