4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide

C24H26N4O5S — CID 6571586

IUPAC4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)[C@]31C
InChIInChI=1S/C24H26N4O5S/c1-24-22-18(19-13-16(33-2)5-8-20(19)26-22)10-12-28(24)21(29)14-27(23(24)30)11-9-15-3-6-17(7-4-15)34(25,31)32/h3-8,13,26H,9-12,14H2,1-2H3,(H2,25,31,32)/t24-/m0/s1
InChIKeyGMIHBCYRNYLHPT-DEOSSOPVSA-N
MW482.56 g/mol
LogP1.51
Rot. Bonds5

About 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide

4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide (PubChem CID 6571586) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide
PubChem CID6571586
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)[C@]31C
InChIInChI=1S/C24H26N4O5S/c1-24-22-18(19-13-16(33-2)5-8-20(19)26-22)10-12-28(24)21(29)14-27(23(24)30)11-9-15-3-6-17(7-4-15)34(25,31)32/h3-8,13,26H,9-12,14H2,1-2H3,(H2,25,31,32)/t24-/m0/s1
InChIKeyGMIHBCYRNYLHPT-DEOSSOPVSA-N
XLogP1.51
TPSA125.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide 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 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide (CID 6571586) is 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide is COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)[C@]31C.
What is the InChIKey of 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide?
The InChIKey is GMIHBCYRNYLHPT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-24-22-18(19-13-16(33-2)5-8-20(19)26-22)10-12-28(24)21(29)14-27(23(24)30)11-9-15-3-6-17(7-4-15)34(25,31)32/h3-8,13,26H,9-12,14H2,1-2H3,(H2,25,31,32)/t24-/m0/s1.
What are the key properties of 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide?
4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide has a molecular weight of 482.56 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 6571586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).