N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide

C26H28N8O2S — CID 132527581

IUPACN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(C)(=O)=O)N(C)c2cccc1n2
InChIInChI=1S/C26H28N8O2S/c1-31-18-10-6-11-19(26(18)30-37(5,35)36)32(2)21-13-8-15-23(28-21)34(4)25-17-9-16-24(29-25)33(3)22-14-7-12-20(31)27-22/h6-17,30H,1-5H3
InChIKeyQYHUVNKBHQNKHZ-UHFFFAOYSA-N
MW516.63 g/mol
LogP4.63
Rot. Bonds2

About N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide

N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide (PubChem CID 132527581) has the molecular formula C26H28N8O2S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide
PubChem CID132527581
Molecular FormulaC26H28N8O2S
Molecular Weight516.63 g/mol
Exact Mass516.21
IUPAC NameN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(C)(=O)=O)N(C)c2cccc1n2
InChIInChI=1S/C26H28N8O2S/c1-31-18-10-6-11-19(26(18)30-37(5,35)36)32(2)21-13-8-15-23(28-21)34(4)25-17-9-16-24(29-25)33(3)22-14-7-12-20(31)27-22/h6-17,30H,1-5H3
InChIKeyQYHUVNKBHQNKHZ-UHFFFAOYSA-N
XLogP4.63
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide?
The IUPAC name of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide (CID 132527581) is N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide.
What is the SMILES notation for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide?
The canonical SMILES for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(C)(=O)=O)N(C)c2cccc1n2.
What is the InChIKey of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide?
The InChIKey is QYHUVNKBHQNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2S/c1-31-18-10-6-11-19(26(18)30-37(5,35)36)32(2)21-13-8-15-23(28-21)34(4)25-17-9-16-24(29-25)33(3)22-14-7-12-20(31)27-22/h6-17,30H,1-5H3.
What are the key properties of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide?
N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide has a molecular weight of 516.63 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide is sourced from PubChem (CID 132527581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).