4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide

C25H34N2O7S — CID 16758295

IUPAC4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@H](C)COC(=O)N[C@@H](C)C(=O)C/C=C\[C@H]2C)cc1
InChIInChI=1S/C25H34N2O7S/c1-17-11-13-21(14-12-17)35(31,32)27-22-16-33-24(29)10-5-7-18(2)15-34-25(30)26-20(4)23(28)9-6-8-19(22)3/h5-8,11-14,18-20,22,27H,9-10,15-16H2,1-4H3,(H,26,30)/b7-5-,8-6-/t18-,19+,20-,22+/m0/s1
InChIKeyHXGKVBIPDUANLN-YGXJXQCESA-N
MW506.62 g/mol
LogP3.05
Rot. Bonds3

About 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide

4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide (PubChem CID 16758295) has the molecular formula C25H34N2O7S and a molecular weight of 506.62 g/mol. Its IUPAC name is 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide
PubChem CID16758295
Molecular FormulaC25H34N2O7S
Molecular Weight506.62 g/mol
Exact Mass506.21
IUPAC Name4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@H](C)COC(=O)N[C@@H](C)C(=O)C/C=C\[C@H]2C)cc1
InChIInChI=1S/C25H34N2O7S/c1-17-11-13-21(14-12-17)35(31,32)27-22-16-33-24(29)10-5-7-18(2)15-34-25(30)26-20(4)23(28)9-6-8-19(22)3/h5-8,11-14,18-20,22,27H,9-10,15-16H2,1-4H3,(H,26,30)/b7-5-,8-6-/t18-,19+,20-,22+/m0/s1
InChIKeyHXGKVBIPDUANLN-YGXJXQCESA-N
XLogP3.05
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]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-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide (CID 16758295) is 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@H](C)COC(=O)N[C@@H](C)C(=O)C/C=C\[C@H]2C)cc1.
What is the InChIKey of 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide?
The InChIKey is HXGKVBIPDUANLN-YGXJXQCESA-N. The full InChI is InChI=1S/C25H34N2O7S/c1-17-11-13-21(14-12-17)35(31,32)27-22-16-33-24(29)10-5-7-18(2)15-34-25(30)26-20(4)23(28)9-6-8-19(22)3/h5-8,11-14,18-20,22,27H,9-10,15-16H2,1-4H3,(H,26,30)/b7-5-,8-6-/t18-,19+,20-,22+/m0/s1.
What are the key properties of 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide?
4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide has a molecular weight of 506.62 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4S,7Z,9R,10S,15Z,17S)-4,9,17-trimethyl-2,5,13-trioxo-1,12-dioxa-3-azacyclooctadeca-7,15-dien-10-yl]benzenesulfonamide is sourced from PubChem (CID 16758295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).