CID 175724048

C19H27KN3O3S — CID 175724048

IUPAC—
SMILESCCN1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C19H27N3O3S.K/c1-2-22-10-9-15(12-22)26(24,25)21-19(23)20-18-16-7-3-5-13(16)11-14-6-4-8-17(14)18;/h11,15H,2-10,12H2,1H3,(H2,20,21,23);
InChIKeyZWMXSPZPXLAFFV-UHFFFAOYSA-N
MW416.61 g/mol
LogP1.83
Rot. Bonds4

About CID 175724048

CID 175724048 (PubChem CID 175724048) has the molecular formula C19H27KN3O3S and a molecular weight of 416.61 g/mol.

Molecular Properties

Compound NameCID 175724048
PubChem CID175724048
Molecular FormulaC19H27KN3O3S
Molecular Weight416.61 g/mol
Exact Mass416.14
IUPAC Name—
SMILESCCN1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C19H27N3O3S.K/c1-2-22-10-9-15(12-22)26(24,25)21-19(23)20-18-16-7-3-5-13(16)11-14-6-4-8-17(14)18;/h11,15H,2-10,12H2,1H3,(H2,20,21,23);
InChIKeyZWMXSPZPXLAFFV-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 160510122
CID 175724097
CID 175724097
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-[1-(cyanomethyl)piperidin-4-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403219
CID 175724043
CID 175724043
1-(1-cyclopropylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;molecular hydrogen
CID 142513099
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185
1-(1-cyclohexylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403138
CID 175724131
CID 175724131
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
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402914
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402534

Frequently Asked Questions

What is the IUPAC name of CID 175724048?
The IUPAC name of CID 175724048 (CID 175724048) is not available.
What is the SMILES notation for CID 175724048?
The canonical SMILES for CID 175724048 is CCN1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K].
What is the InChIKey of CID 175724048?
The InChIKey is ZWMXSPZPXLAFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.K/c1-2-22-10-9-15(12-22)26(24,25)21-19(23)20-18-16-7-3-5-13(16)11-14-6-4-8-17(14)18;/h11,15H,2-10,12H2,1H3,(H2,20,21,23);.
What are the key properties of CID 175724048?
CID 175724048 has a molecular weight of 416.61 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175724048 is sourced from PubChem (CID 175724048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).