N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide

C17H20N2O3S2 — CID 123417601

IUPACN-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide
SMILESCOc1c(NS(C)(=O)=O)ccc2c1CN1CCc3sccc3C1C2
InChIInChI=1S/C17H20N2O3S2/c1-22-17-13-10-19-7-5-16-12(6-8-23-16)15(19)9-11(13)3-4-14(17)18-24(2,20)21/h3-4,6,8,15,18H,5,7,9-10H2,1-2H3
InChIKeyYGWKXFFGHAYRGD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.78
Rot. Bonds3

About N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide

N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide (PubChem CID 123417601) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide
PubChem CID123417601
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide
SMILESCOc1c(NS(C)(=O)=O)ccc2c1CN1CCc3sccc3C1C2
InChIInChI=1S/C17H20N2O3S2/c1-22-17-13-10-19-7-5-16-12(6-8-23-16)15(19)9-11(13)3-4-14(17)18-24(2,20)21/h3-4,6,8,15,18H,5,7,9-10H2,1-2H3
InChIKeyYGWKXFFGHAYRGD-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide 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 N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide (CID 123417601) is N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide is COc1c(NS(C)(=O)=O)ccc2c1CN1CCc3sccc3C1C2.
What is the InChIKey of N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide?
The InChIKey is YGWKXFFGHAYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-22-17-13-10-19-7-5-16-12(6-8-23-16)15(19)9-11(13)3-4-14(17)18-24(2,20)21/h3-4,6,8,15,18H,5,7,9-10H2,1-2H3.
What are the key properties of N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide?
N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-14-thia-1-azatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,11(15),12-pentaen-5-yl)methanesulfonamide is sourced from PubChem (CID 123417601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).