2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid

C104H141N17O25P2S3 — CID 158135355

About 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid

2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid (PubChem CID 158135355) has the molecular formula C104H141N17O25P2S3 and a molecular weight of 2187.51 g/mol. Its IUPAC name is 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid
• PubChem CID: 158135355
• Molecular Formula: C104H141N17O25P2S3
• Molecular Weight: 2187.51 g/mol
• Exact Mass: 2185.89
• IUPAC Name: 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid
• SMILES: CCOP(=O)(CCN)OCC.CCOP(=O)(CCNC(=O)OC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cnc(C)cn3)cc2)CC1)OCC.Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(OCc4ccccc4)CC3)cc2)cn1.Cc1cnc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1.O=C(O)C1CCC(OCc2ccccc2)CC1.O=C=NC1CCC(OCc2ccccc2)CC1
• InChI: InChI=1S/C28H41N6O9PS.C28H33N5O5S.C14H16N4O3S.C14H17NO2.C14H18O3.C6H16NO3P/c1-4-41-44(38,42-5-2)17-16-30-28(37)43-23-10-8-22(9-11-23)33-27(36)34-45(39,40)24-12-6-21(7-13-24)14-15-29-26(35)25-19-31-20(3)18-32-25;1-20-17-31-26(18-30-20)27(34)29-16-15-21-7-13-25(14-8-21)39(36,37)33-28(35)32-23-9-11-24(12-10-23)38-19-22-5-3-2-4-6-22;1-10-8-18-13(9-17-10)14(19)16-7-6-11-2-4-12(5-3-11)22(15,20)21;16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12;15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11;1-3-9-11(8,6-5-7)10-4-2/h6-7,12-13,18-19,22-23H,4-5,8-11,14-17H2,1-3H3,(H,29,35)(H,30,37)(H2,33,34,36);2-8,13-14,17-18,23-24H,9-12,15-16,19H2,1H3,(H,29,34)(H2,32,33,35);2-5,8-9H,6-7H2,1H3,(H,16,19)(H2,15,20,21);1-5,13-14H,6-10H2;1-5,12-13H,6-10H2,(H,15,16);3-7H2,1-2H3
• InChIKey: FTGXEDNGMMQOSV-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 605.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 44
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.51
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid?

The IUPAC name of 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid (CID 158135355) is 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid.

What is the SMILES notation for 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid?

The canonical SMILES for 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid is CCOP(=O)(CCN)OCC.CCOP(=O)(CCNC(=O)OC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cnc(C)cn3)cc2)CC1)OCC.Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(OCc4ccccc4)CC3)cc2)cn1.Cc1cnc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1.O=C(O)C1CCC(OCc2ccccc2)CC1.O=C=NC1CCC(OCc2ccccc2)CC1.

What is the InChIKey of 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid?

The InChIKey is FTGXEDNGMMQOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N6O9PS.C28H33N5O5S.C14H16N4O3S.C14H17NO2.C14H18O3.C6H16NO3P/c1-4-41-44(38,42-5-2)17-16-30-28(37)43-23-10-8-22(9-11-23)33-27(36)34-45(39,40)24-12-6-21(7-13-24)14-15-29-26(35)25-19-31-20(3)18-32-25;1-20-17-31-26(18-30-20)27(34)29-16-15-21-7-13-25(14-8-21)39(36,37)33-28(35)32-23-9-11-24(12-10-23)38-19-22-5-3-2-4-6-22;1-10-8-18-13(9-17-10)14(19)16-7-6-11-2-4-12(5-3-11)22(15,20)21;16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12;15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11;1-3-9-11(8,6-5-7)10-4-2/h6-7,12-13,18-19,22-23H,4-5,8-11,14-17H2,1-3H3,(H,29,35)(H,30,37)(H2,33,34,36);2-8,13-14,17-18,23-24H,9-12,15-16,19H2,1H3,(H,29,34)(H2,32,33,35);2-5,8-9H,6-7H2,1H3,(H,16,19)(H2,15,20,21);1-5,13-14H,6-10H2;1-5,12-13H,6-10H2,(H,15,16);3-7H2,1-2H3.

What are the key properties of 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid?

2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid has a molecular weight of 2187.51 g/mol, XLogP of 13.64, 44 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-diethoxyphosphorylethanamine;(4-isocyanatocyclohexyl)oxymethylbenzene;5-methyl-N-[2-[4-[(4-phenylmethoxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide;[4-[[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl] N-(2-diethoxyphosphorylethyl)carbamate;5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide;4-phenylmethoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 158135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).