14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C22H23N5O3S — CID 53310545

IUPAC14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H23N5O3S/c1-4-9-27-14-17(13-24-27)16-10-20-21(23-12-16)8-6-15-5-7-18(11-19(15)22(20)28)25-31(29,30)26(2)3/h5-8,10-14,25H,4,9H2,1-3H3
InChIKeyBKFQRCFTERBBKR-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.24
Rot. Bonds6

About 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 53310545) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID53310545
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H23N5O3S/c1-4-9-27-14-17(13-24-27)16-10-20-21(23-12-16)8-6-15-5-7-18(11-19(15)22(20)28)25-31(29,30)26(2)3/h5-8,10-14,25H,4,9H2,1-3H3
InChIKeyBKFQRCFTERBBKR-UHFFFAOYSA-N
XLogP3.24
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 53310545) is 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1.
What is the InChIKey of 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is BKFQRCFTERBBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-4-9-27-14-17(13-24-27)16-10-20-21(23-12-16)8-6-15-5-7-18(11-19(15)22(20)28)25-31(29,30)26(2)3/h5-8,10-14,25H,4,9H2,1-3H3.
What are the key properties of 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 437.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(dimethylsulfamoylamino)-2-oxo-5-(1-propylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 53310545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).