N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide

C23H35N3O7S — CID 165112086

IUPACN-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide
SMILESCOc1ccc2nc1OCCCOC(=O)N1[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1
InChIInChI=1S/C23H35N3O7S/c1-15-13-19(25-34(3,28)29)20-14-33-17-7-5-16(6-8-17)18-9-10-21(30-2)22(24-18)31-11-4-12-32-23(27)26(15)20/h9-10,15-17,19-20,25H,4-8,11-14H2,1-3H3/t15-,16?,17?,19+,20+/m1/s1
InChIKeyVNYSPKOTEWUCMQ-CVOYVFRVSA-N
MW497.61 g/mol
LogP2.43
Rot. Bonds3

About N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide

N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide (PubChem CID 165112086) has the molecular formula C23H35N3O7S and a molecular weight of 497.61 g/mol. Its IUPAC name is N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide
PubChem CID165112086
Molecular FormulaC23H35N3O7S
Molecular Weight497.61 g/mol
Exact Mass497.22
IUPAC NameN-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide
SMILESCOc1ccc2nc1OCCCOC(=O)N1[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1
InChIInChI=1S/C23H35N3O7S/c1-15-13-19(25-34(3,28)29)20-14-33-17-7-5-16(6-8-17)18-9-10-21(30-2)22(24-18)31-11-4-12-32-23(27)26(15)20/h9-10,15-17,19-20,25H,4-8,11-14H2,1-3H3/t15-,16?,17?,19+,20+/m1/s1
InChIKeyVNYSPKOTEWUCMQ-CVOYVFRVSA-N
XLogP2.43
TPSA116.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide?
The IUPAC name of N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide (CID 165112086) is N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide.
What is the SMILES notation for N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide?
The canonical SMILES for N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide is COc1ccc2nc1OCCCOC(=O)N1[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1.
What is the InChIKey of N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide?
The InChIKey is VNYSPKOTEWUCMQ-CVOYVFRVSA-N. The full InChI is InChI=1S/C23H35N3O7S/c1-15-13-19(25-34(3,28)29)20-14-33-17-7-5-16(6-8-17)18-9-10-21(30-2)22(24-18)31-11-4-12-32-23(27)26(15)20/h9-10,15-17,19-20,25H,4-8,11-14H2,1-3H3/t15-,16?,17?,19+,20+/m1/s1.
What are the key properties of N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide?
N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide has a molecular weight of 497.61 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(14R,16S,17R)-5-methoxy-14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl]methanesulfonamide is sourced from PubChem (CID 165112086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).