1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)

C109H120F18N18O23S — CID 157172701

IUPAC1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(C)C)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H26N4O3.C21H26N4O4S.C20H24N4O2.C19H23N3O2.C17H16F3N3O2.5C2HF3O2/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17;22-20(23)17-5-4-6-18(15-17)29-14-11-24-21(26)16-9-12-25(13-10-16)30(27,28)19-7-2-1-3-8-19;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-13(2)14-6-8-15(9-7-14)19(23)22-10-11-24-17-5-3-4-16(12-17)18(20)21;18-17(19,20)13-6-4-11(5-7-13)16(24)23-8-9-25-14-3-1-2-12(10-14)15(21)22;5*3-2(4,5)1(6)7/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27);1-8,15-16H,9-14H2,(H3,22,23)(H,24,26);3-9,14H,1-2,10-13H2,(H3,21,22)(H,23,25);3-9,12-13H,10-11H2,1-2H3,(H3,20,21)(H,22,23);1-7,10H,8-9H2,(H3,21,22)(H,23,24);5*(H,6,7)
InChIKeyRHJXPRGVUAOTFN-UHFFFAOYSA-N
MW2424.29 g/mol
LogP14.83
Rot. Bonds35

About 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)

1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 157172701) has the molecular formula C109H120F18N18O23S and a molecular weight of 2424.29 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)
PubChem CID157172701
Molecular FormulaC109H120F18N18O23S
Molecular Weight2424.29 g/mol
Exact Mass2422.82
IUPAC Name1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(C)C)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H26N4O3.C21H26N4O4S.C20H24N4O2.C19H23N3O2.C17H16F3N3O2.5C2HF3O2/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17;22-20(23)17-5-4-6-18(15-17)29-14-11-24-21(26)16-9-12-25(13-10-16)30(27,28)19-7-2-1-3-8-19;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-13(2)14-6-8-15(9-7-14)19(23)22-10-11-24-17-5-3-4-16(12-17)18(20)21;18-17(19,20)13-6-4-11(5-7-13)16(24)23-8-9-25-14-3-1-2-12(10-14)15(21)22;5*3-2(4,5)1(6)7/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27);1-8,15-16H,9-14H2,(H3,22,23)(H,24,26);3-9,14H,1-2,10-13H2,(H3,21,22)(H,23,25);3-9,12-13H,10-11H2,1-2H3,(H3,20,21)(H,22,23);1-7,10H,8-9H2,(H3,21,22)(H,23,24);5*(H,6,7)
InChIKeyRHJXPRGVUAOTFN-UHFFFAOYSA-N
XLogP14.83
TPSA688.43 Ų
H-Bond Donors20
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.29
LogP ≤ 514.83
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) 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 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) (CID 157172701) is 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(C)C)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)?
The InChIKey is RHJXPRGVUAOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.C21H26N4O4S.C20H24N4O2.C19H23N3O2.C17H16F3N3O2.5C2HF3O2/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17;22-20(23)17-5-4-6-18(15-17)29-14-11-24-21(26)16-9-12-25(13-10-16)30(27,28)19-7-2-1-3-8-19;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-13(2)14-6-8-15(9-7-14)19(23)22-10-11-24-17-5-3-4-16(12-17)18(20)21;18-17(19,20)13-6-4-11(5-7-13)16(24)23-8-9-25-14-3-1-2-12(10-14)15(21)22;5*3-2(4,5)1(6)7/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27);1-8,15-16H,9-14H2,(H3,22,23)(H,24,26);3-9,14H,1-2,10-13H2,(H3,21,22)(H,23,25);3-9,12-13H,10-11H2,1-2H3,(H3,20,21)(H,22,23);1-7,10H,8-9H2,(H3,21,22)(H,23,24);5*(H,6,7).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid)?
1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2424.29 g/mol, XLogP of 14.83, 35 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-propan-2-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrolidin-1-ylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(trifluoromethyl)benzamide;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157172701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).