4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C24H27N5O4S — CID 55497201

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H27N5O4S/c1-17-8-9-18(16-21(17)34(31,32)29-12-14-33-15-13-29)24(30)27-22-23(28-10-4-5-11-28)26-20-7-3-2-6-19(20)25-22/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,27,30)
InChIKeyAYKJFAQCRQEMHN-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 55497201) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID55497201
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H27N5O4S/c1-17-8-9-18(16-21(17)34(31,32)29-12-14-33-15-13-29)24(30)27-22-23(28-10-4-5-11-28)26-20-7-3-2-6-19(20)25-22/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,27,30)
InChIKeyAYKJFAQCRQEMHN-UHFFFAOYSA-N
XLogP2.81
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 55497201) is 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is AYKJFAQCRQEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17-8-9-18(16-21(17)34(31,32)29-12-14-33-15-13-29)24(30)27-22-23(28-10-4-5-11-28)26-20-7-3-2-6-19(20)25-22/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,27,30).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 481.58 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 55497201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).