2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide

C29H31Cl2N5O4S — CID 69037733

IUPAC2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cccc(N2CCC(CCNC(=O)C[C@@H]3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C29H31Cl2N5O4S/c1-19-6-4-11-26(33-19)35-16-13-20(14-17-35)12-15-32-27(37)18-24-29(38)34-22-8-2-3-9-23(22)36(24)41(39,40)25-10-5-7-21(30)28(25)31/h2-11,20,24H,12-18H2,1H3,(H,32,37)(H,34,38)/t24-/m1/s1
InChIKeyNWSHLBLVKSWYML-XMMPIXPASA-N
MW616.57 g/mol
LogP5.03
Rot. Bonds8

About 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide

2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 69037733) has the molecular formula C29H31Cl2N5O4S and a molecular weight of 616.57 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide
PubChem CID69037733
Molecular FormulaC29H31Cl2N5O4S
Molecular Weight616.57 g/mol
Exact Mass615.15
IUPAC Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cccc(N2CCC(CCNC(=O)C[C@@H]3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C29H31Cl2N5O4S/c1-19-6-4-11-26(33-19)35-16-13-20(14-17-35)12-15-32-27(37)18-24-29(38)34-22-8-2-3-9-23(22)36(24)41(39,40)25-10-5-7-21(30)28(25)31/h2-11,20,24H,12-18H2,1H3,(H,32,37)(H,34,38)/t24-/m1/s1
InChIKeyNWSHLBLVKSWYML-XMMPIXPASA-N
XLogP5.03
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.57
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide (CID 69037733) is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide is Cc1cccc(N2CCC(CCNC(=O)C[C@@H]3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1.
What is the InChIKey of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is NWSHLBLVKSWYML-XMMPIXPASA-N. The full InChI is InChI=1S/C29H31Cl2N5O4S/c1-19-6-4-11-26(33-19)35-16-13-20(14-17-35)12-15-32-27(37)18-24-29(38)34-22-8-2-3-9-23(22)36(24)41(39,40)25-10-5-7-21(30)28(25)31/h2-11,20,24H,12-18H2,1H3,(H,32,37)(H,34,38)/t24-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide?
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 616.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 69037733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).