N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

C26H24FN3O6S — CID 170343467

About N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide (PubChem CID 170343467) has the molecular formula C26H24FN3O6S and a molecular weight of 525.56 g/mol. Its IUPAC name is N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide
• PubChem CID: 170343467
• Molecular Formula: C26H24FN3O6S
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.14
• IUPAC Name: N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide
• SMILES: CCc1c(F)cc2nc3c(c4c2c1SC[C@H]4NC(=O)CO)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC
• InChI: InChI=1S/C26H24FN3O6S/c1-3-11-15(27)6-16-21-20(17(10-37-23(11)21)28-19(32)8-31)12-7-30-18(22(12)29-16)5-14-13(24(30)33)9-36-25(34)26(14,35)4-2/h5-6,17,31,35H,3-4,7-10H2,1-2H3,(H,28,32)/t17-,26+/m1/s1
• InChIKey: QZCJJFHMJFSKIX-QUGAMOGWSA-N
• XLogP: 2.04
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide?

The IUPAC name of N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide (CID 170343467) is N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide is CCc1c(F)cc2nc3c(c4c2c1SC[C@H]4NC(=O)CO)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC.

What is the InChIKey of N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide?

The InChIKey is QZCJJFHMJFSKIX-QUGAMOGWSA-N. The full InChI is InChI=1S/C26H24FN3O6S/c1-3-11-15(27)6-16-21-20(17(10-37-23(11)21)28-19(32)8-31)12-7-30-18(22(12)29-16)5-14-13(24(30)33)9-36-25(34)26(14,35)4-2/h5-6,17,31,35H,3-4,7-10H2,1-2H3,(H,28,32)/t17-,26+/m1/s1.

What are the key properties of N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide?

N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide has a molecular weight of 525.56 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S,23S)-10,19-diethyl-18-fluoro-10-hydroxy-5,9-dioxo-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide is sourced from PubChem (CID 170343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).