CID 175744007

C19H26KN4O3S — CID 175744007

IUPAC—
SMILESCN1C[C@@H]2C[C@H]1CN2S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H26N4O3S.K/c1-22-10-15-9-14(22)11-23(15)27(25,26)21-19(24)20-18-16-6-2-4-12(16)8-13-5-3-7-17(13)18;/h8,14-15H,2-7,9-11H2,1H3,(H2,20,21,24);/t14-,15-;/m0./s1
InChIKeyMXQDHQXSLCWTEQ-YYLIZZNMSA-N
MW429.61 g/mol
LogP1.04
Rot. Bonds3

About CID 175744007

CID 175744007 (PubChem CID 175744007) has the molecular formula C19H26KN4O3S and a molecular weight of 429.61 g/mol.

Molecular Properties

Compound NameCID 175744007
PubChem CID175744007
Molecular FormulaC19H26KN4O3S
Molecular Weight429.61 g/mol
Exact Mass429.14
IUPAC Name—
SMILESCN1C[C@@H]2C[C@H]1CN2S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H26N4O3S.K/c1-22-10-15-9-14(22)11-23(15)27(25,26)21-19(24)20-18-16-6-2-4-12(16)8-13-5-3-7-17(13)18;/h8,14-15H,2-7,9-11H2,1H3,(H2,20,21,24);/t14-,15-;/m0./s1
InChIKeyMXQDHQXSLCWTEQ-YYLIZZNMSA-N
XLogP1.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]urea
CID 146394383
CID 175744129
CID 175744129
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylurea
CID 130356337
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylsulfonylurea
CID 130356216
1-(3,5-dimethylmorpholin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 130356184
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea
CID 155120766
CID 175947001
CID 175947001
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
CID 146394255
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737
CID 175947056
CID 175947056
CID 175724043
CID 175724043
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
CID 146394288

Frequently Asked Questions

What is the IUPAC name of CID 175744007?
The IUPAC name of CID 175744007 (CID 175744007) is not available.
What is the SMILES notation for CID 175744007?
The canonical SMILES for CID 175744007 is CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K].
What is the InChIKey of CID 175744007?
The InChIKey is MXQDHQXSLCWTEQ-YYLIZZNMSA-N. The full InChI is InChI=1S/C19H26N4O3S.K/c1-22-10-15-9-14(22)11-23(15)27(25,26)21-19(24)20-18-16-6-2-4-12(16)8-13-5-3-7-17(13)18;/h8,14-15H,2-7,9-11H2,1H3,(H2,20,21,24);/t14-,15-;/m0./s1.
What are the key properties of CID 175744007?
CID 175744007 has a molecular weight of 429.61 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175744007 is sourced from PubChem (CID 175744007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).