2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

C84H82N12O4S4 — CID 159553443

IUPAC2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CC(C)CC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CCC(C)C(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.O=C(CC1CCCCC1)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2
InChIInChI=1S/C24H25N3OS.2C21H21N3OS.C18H15N3OS/c28-21(15-16-7-2-1-3-8-16)26-24-23(20-11-6-14-29-20)27-22-18-10-5-4-9-17(18)12-13-19(22)25-24;1-13(2)12-18(25)23-21-20(17-8-5-11-26-17)24-19-15-7-4-3-6-14(15)9-10-16(19)22-21;1-3-13(2)21(25)24-20-19(17-9-6-12-26-17)23-18-15-8-5-4-7-14(15)10-11-16(18)22-20;1-11(22)19-18-17(15-7-4-10-23-15)21-16-13-6-3-2-5-12(13)8-9-14(16)20-18/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,25,26,28);3-8,11,13H,9-10,12H2,1-2H3,(H,22,23,25);4-9,12-13H,3,10-11H2,1-2H3,(H,22,24,25);2-7,10H,8-9H2,1H3,(H,19,20,22)
InChIKeyMFRNZFPFHSOXJQ-UHFFFAOYSA-N
MW1451.93 g/mol
LogP19.72
Rot. Bonds14

About 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 159553443) has the molecular formula C84H82N12O4S4 and a molecular weight of 1451.93 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID159553443
Molecular FormulaC84H82N12O4S4
Molecular Weight1451.93 g/mol
Exact Mass1450.55
IUPAC Name2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CC(C)CC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CCC(C)C(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.O=C(CC1CCCCC1)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2
InChIInChI=1S/C24H25N3OS.2C21H21N3OS.C18H15N3OS/c28-21(15-16-7-2-1-3-8-16)26-24-23(20-11-6-14-29-20)27-22-18-10-5-4-9-17(18)12-13-19(22)25-24;1-13(2)12-18(25)23-21-20(17-8-5-11-26-17)24-19-15-7-4-3-6-14(15)9-10-16(19)22-21;1-3-13(2)21(25)24-20-19(17-9-6-12-26-17)23-18-15-8-5-4-7-14(15)10-11-16(18)22-20;1-11(22)19-18-17(15-7-4-10-23-15)21-16-13-6-3-2-5-12(13)8-9-14(16)20-18/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,25,26,28);3-8,11,13H,9-10,12H2,1-2H3,(H,22,23,25);4-9,12-13H,3,10-11H2,1-2H3,(H,22,24,25);2-7,10H,8-9H2,1H3,(H,19,20,22)
InChIKeyMFRNZFPFHSOXJQ-UHFFFAOYSA-N
XLogP19.72
TPSA219.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.93
LogP ≤ 519.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 159553443) is 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is CC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CC(C)CC(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.CCC(C)C(=O)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.O=C(CC1CCCCC1)Nc1nc2c(nc1-c1cccs1)-c1ccccc1CC2.
What is the InChIKey of 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is MFRNZFPFHSOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS.2C21H21N3OS.C18H15N3OS/c28-21(15-16-7-2-1-3-8-16)26-24-23(20-11-6-14-29-20)27-22-18-10-5-4-9-17(18)12-13-19(22)25-24;1-13(2)12-18(25)23-21-20(17-8-5-11-26-17)24-19-15-7-4-3-6-14(15)9-10-16(19)22-21;1-3-13(2)21(25)24-20-19(17-9-6-12-26-17)23-18-15-8-5-4-7-14(15)10-11-16(18)22-20;1-11(22)19-18-17(15-7-4-10-23-15)21-16-13-6-3-2-5-12(13)8-9-14(16)20-18/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,25,26,28);3-8,11,13H,9-10,12H2,1-2H3,(H,22,23,25);4-9,12-13H,3,10-11H2,1-2H3,(H,22,24,25);2-7,10H,8-9H2,1H3,(H,19,20,22).
What are the key properties of 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 1451.93 g/mol, XLogP of 19.72, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 159553443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).