2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide

C23H25N5O3S — CID 24514431

IUPAC2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2nc1C
InChIInChI=1S/C23H25N5O3S/c1-15-16(2)26-21-13-17(10-11-20(21)25-15)23(29)27-18-7-6-8-19(14-18)32(30,31)28-22-9-4-3-5-12-24-22/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyBLWOXPKHHNDKSO-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.75
Rot. Bonds4

About 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 24514431) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
PubChem CID24514431
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2nc1C
InChIInChI=1S/C23H25N5O3S/c1-15-16(2)26-21-13-17(10-11-20(21)25-15)23(29)27-18-7-6-8-19(14-18)32(30,31)28-22-9-4-3-5-12-24-22/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyBLWOXPKHHNDKSO-UHFFFAOYSA-N
XLogP3.75
TPSA113.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
4-(dimethylsulfamoyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 24645853
7-fluoro-2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-5-carboxamide
CID 55883807
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26184919
4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
3-[(3-methylphenyl)methoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 29283435
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27712069
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18208046
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 31528464
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
N-methyl-N-[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl]benzamide
CID 55573199

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide (CID 24514431) is 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is BLWOXPKHHNDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15-16(2)26-21-13-17(10-11-20(21)25-15)23(29)27-18-7-6-8-19(14-18)32(30,31)28-22-9-4-3-5-12-24-22/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,24,28)(H,27,29).
What are the key properties of 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 24514431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).