azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne

C75H58N6O7S2 — CID 123706074

About azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne

azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne (PubChem CID 123706074) has the molecular formula C75H58N6O7S2 and a molecular weight of 1219.46 g/mol. Its IUPAC name is azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne.

Molecular Properties

• Compound Name: azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne
• PubChem CID: 123706074
• Molecular Formula: C75H58N6O7S2
• Molecular Weight: 1219.46 g/mol
• Exact Mass: 1218.38
• IUPAC Name: azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(C)n1c(O[C@@H]2C[C@H]3C(=O)C[C@]4(C(=O)O)C[C@H]4/C=C\CCCCC[C@H](C)C(=O)N3C2)nc2c(-c3nc(C4CCCC4)cs3)cccc21.NS(=O)(=O)N1CCC1
• InChI: InChI=1S/C38H48N4O5S.C34H2.C3H8N2O2S/c1-23(2)42-30-17-11-16-28(34-39-29(22-48-34)25-13-9-10-14-25)33(30)40-37(42)47-27-18-31-32(43)20-38(36(45)46)19-26(38)15-8-6-4-5-7-12-24(3)35(44)41(31)21-27;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;4-8(6,7)5-2-1-3-5/h8,11,15-17,22-27,31H,4-7,9-10,12-14,18-21H2,1-3H3,(H,45,46);1-2H;1-3H2,(H2,4,6,7)/b15-8-;;/t24-,26+,27+,31-,38+;;/m0../s1
• InChIKey: UXMIKVNBXRACDK-PXCCFMMESA-N
• XLogP: 7.15
• TPSA: 178.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.46
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?

The IUPAC name of azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne (CID 123706074) is azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne.

What is the SMILES notation for azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?

The canonical SMILES for azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(C)n1c(O[C@@H]2C[C@H]3C(=O)C[C@]4(C(=O)O)C[C@H]4/C=C\CCCCC[C@H](C)C(=O)N3C2)nc2c(-c3nc(C4CCCC4)cs3)cccc21.NS(=O)(=O)N1CCC1.

What is the InChIKey of azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?

The InChIKey is UXMIKVNBXRACDK-PXCCFMMESA-N. The full InChI is InChI=1S/C38H48N4O5S.C34H2.C3H8N2O2S/c1-23(2)42-30-17-11-16-28(34-39-29(22-48-34)25-13-9-10-14-25)33(30)40-37(42)47-27-18-31-32(43)20-38(36(45)46)19-26(38)15-8-6-4-5-7-12-24(3)35(44)41(31)21-27;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;4-8(6,7)5-2-1-3-5/h8,11,15-17,22-27,31H,4-7,9-10,12-14,18-21H2,1-3H3,(H,45,46);1-2H;1-3H2,(H2,4,6,7)/b15-8-;;/t24-,26+,27+,31-,38+;;/m0../s1.

What are the key properties of azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?

azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne has a molecular weight of 1219.46 g/mol, XLogP of 7.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine-1-sulfonamide;(1S,4R,6S,7Z,14S,18R)-18-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne is sourced from PubChem (CID 123706074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).