CID 175753183

C19H23KN5O3S — CID 175753183

IUPAC—
SMILESCN(C)c1cncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[K]
InChIInChI=1S/C19H23N5O3S.K/c1-24(2)16-10-20-11-17(21-16)28(26,27)23-19(25)22-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18;/h9-11H,3-8H2,1-2H3,(H2,22,23,25);
InChIKeyOPGUQGHLDWEPTH-UHFFFAOYSA-N
MW440.59 g/mol
LogP1.65
Rot. Bonds4

About CID 175753183

CID 175753183 (PubChem CID 175753183) has the molecular formula C19H23KN5O3S and a molecular weight of 440.59 g/mol.

Molecular Properties

Compound NameCID 175753183
PubChem CID175753183
Molecular FormulaC19H23KN5O3S
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name—
SMILESCN(C)c1cncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[K]
InChIInChI=1S/C19H23N5O3S.K/c1-24(2)16-10-20-11-17(21-16)28(26,27)23-19(25)22-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18;/h9-11H,3-8H2,1-2H3,(H2,22,23,25);
InChIKeyOPGUQGHLDWEPTH-UHFFFAOYSA-N
XLogP1.65
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
CID 175753184
CID 175753184
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-5-yl)sulfonylurea
CID 165110072
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpyrimidine-5-carboxamide
CID 137404276
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-methoxypyrazin-2-yl)sulfonylurea
CID 155076516
CID 175825031
CID 175825031
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
CID 175753214
CID 175753214

Frequently Asked Questions

What is the IUPAC name of CID 175753183?
The IUPAC name of CID 175753183 (CID 175753183) is not available.
What is the SMILES notation for CID 175753183?
The canonical SMILES for CID 175753183 is CN(C)c1cncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[K].
What is the InChIKey of CID 175753183?
The InChIKey is OPGUQGHLDWEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S.K/c1-24(2)16-10-20-11-17(21-16)28(26,27)23-19(25)22-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18;/h9-11H,3-8H2,1-2H3,(H2,22,23,25);.
What are the key properties of CID 175753183?
CID 175753183 has a molecular weight of 440.59 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175753183 is sourced from PubChem (CID 175753183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).