CID 175947056

C17H24KN2O4S — CID 175947056

IUPAC—
SMILESCOCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C17H24N2O4S.K/c1-23-9-4-10-24(21,22)19-17(20)18-16-14-7-2-5-12(14)11-13-6-3-8-15(13)16;/h11H,2-10H2,1H3,(H2,18,19,20);
InChIKeyRCWBUVXEFSVFHA-UHFFFAOYSA-N
MW391.55 g/mol
LogP1.77
Rot. Bonds6

About CID 175947056

CID 175947056 (PubChem CID 175947056) has the molecular formula C17H24KN2O4S and a molecular weight of 391.55 g/mol.

Molecular Properties

Compound NameCID 175947056
PubChem CID175947056
Molecular FormulaC17H24KN2O4S
Molecular Weight391.55 g/mol
Exact Mass391.11
IUPAC Name—
SMILESCOCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C17H24N2O4S.K/c1-23-9-4-10-24(21,22)19-17(20)18-16-14-7-2-5-12(14)11-13-6-3-8-15(13)16;/h11H,2-10H2,1H3,(H2,18,19,20);
InChIKeyRCWBUVXEFSVFHA-UHFFFAOYSA-N
XLogP1.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529569
N-acetyl-4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529593
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dipropylbutanamide
CID 142529615
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[3-(3,3,3-trifluoropropylamino)propylsulfonyl]urea
CID 142529644
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-phenylpentylsulfonyl)urea
CID 158385340
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
CID 175947001
CID 175947001
CID 175947030
CID 175947030
1-[2-(4-chloro-2-methylphenyl)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159281901
4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene;methyl 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propanoate;methyl 3-sulfamoylpropanoate
CID 159832990

Frequently Asked Questions

What is the IUPAC name of CID 175947056?
The IUPAC name of CID 175947056 (CID 175947056) is not available.
What is the SMILES notation for CID 175947056?
The canonical SMILES for CID 175947056 is COCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K].
What is the InChIKey of CID 175947056?
The InChIKey is RCWBUVXEFSVFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S.K/c1-23-9-4-10-24(21,22)19-17(20)18-16-14-7-2-5-12(14)11-13-6-3-8-15(13)16;/h11H,2-10H2,1H3,(H2,18,19,20);.
What are the key properties of CID 175947056?
CID 175947056 has a molecular weight of 391.55 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175947056 is sourced from PubChem (CID 175947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).