(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

C24H37N3O6S — CID 165112033

IUPAC(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-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)OCCCOC(=O)N12
InChIInChI=1S/C24H37N3O6S/c1-17-14-22(25-34(29,30)26(2)3)23-16-33-20-10-8-18(9-11-20)19-6-4-7-21(15-19)31-12-5-13-32-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1
InChIKeyDJHOCLFFIGMRQA-DPILDVQXSA-N
MW495.64 g/mol
LogP2.88
Rot. Bonds3

About (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (PubChem CID 165112033) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-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-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
PubChem CID165112033
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC Name(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-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)OCCCOC(=O)N12
InChIInChI=1S/C24H37N3O6S/c1-17-14-22(25-34(29,30)26(2)3)23-16-33-20-10-8-18(9-11-20)19-6-4-7-21(15-19)31-12-5-13-32-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1
InChIKeyDJHOCLFFIGMRQA-DPILDVQXSA-N
XLogP2.88
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-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-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (CID 165112033) is (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-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-7,11,19-trioxa-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-7,11,19-trioxa-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)OCCCOC(=O)N12.
What is the InChIKey of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The InChIKey is DJHOCLFFIGMRQA-DPILDVQXSA-N. The full InChI is InChI=1S/C24H37N3O6S/c1-17-14-22(25-34(29,30)26(2)3)23-16-33-20-10-8-18(9-11-20)19-6-4-7-21(15-19)31-12-5-13-32-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1.
What are the key properties of (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
(14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene has a molecular weight of 495.64 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,16S,17R)-16-(dimethylsulfamoylamino)-14-methyl-12-oxo-7,11,19-trioxa-13-azatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene is sourced from PubChem (CID 165112033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).