(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

C25H39N3O5S — CID 165112030

IUPAC(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
SMILESC[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCCCC(=O)N12
InChIInChI=1S/C25H39N3O5S/c1-18-15-23(26-34(30,31)27(2)3)24-17-33-21-12-10-19(11-13-21)20-7-6-8-22(16-20)32-14-5-4-9-25(29)28(18)24/h6-8,16,18-19,21,23-24,26H,4-5,9-15,17H2,1-3H3/t18-,19?,21?,23+,24+/m1/s1
InChIKeyPICQPPPTXOGRBD-YDAFSYGQSA-N
MW493.67 g/mol
LogP3.05
Rot. Bonds3

About (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (PubChem CID 165112030) has the molecular formula C25H39N3O5S and a molecular weight of 493.67 g/mol. Its IUPAC name is (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene.

Molecular Properties

Compound Name(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
PubChem CID165112030
Molecular FormulaC25H39N3O5S
Molecular Weight493.67 g/mol
Exact Mass493.26
IUPAC Name(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
SMILESC[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCCCC(=O)N12
InChIInChI=1S/C25H39N3O5S/c1-18-15-23(26-34(30,31)27(2)3)24-17-33-21-12-10-19(11-13-21)20-7-6-8-22(16-20)32-14-5-4-9-25(29)28(18)24/h6-8,16,18-19,21,23-24,26H,4-5,9-15,17H2,1-3H3/t18-,19?,21?,23+,24+/m1/s1
InChIKeyPICQPPPTXOGRBD-YDAFSYGQSA-N
XLogP3.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene 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 (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The IUPAC name of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (CID 165112030) is (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene.
What is the SMILES notation for (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The canonical SMILES for (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene is C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCCCC(=O)N12.
What is the InChIKey of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The InChIKey is PICQPPPTXOGRBD-YDAFSYGQSA-N. The full InChI is InChI=1S/C25H39N3O5S/c1-18-15-23(26-34(30,31)27(2)3)24-17-33-21-12-10-19(11-13-21)20-7-6-8-22(16-20)32-14-5-4-9-25(29)28(18)24/h6-8,16,18-19,21,23-24,26H,4-5,9-15,17H2,1-3H3/t18-,19?,21?,23+,24+/m1/s1.
What are the key properties of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene has a molecular weight of 493.67 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,19-dioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene is sourced from PubChem (CID 165112030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).