CID 175753214

C18H20KN4O3S — CID 175753214

IUPAC—
SMILESCc1nccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C18H20N4O3S.K/c1-11-17(20-9-8-19-11)26(24,25)22-18(23)21-16-14-6-2-4-12(14)10-13-5-3-7-15(13)16;/h8-10H,2-7H2,1H3,(H2,21,22,23);
InChIKeySRVXWNAPZOJVJE-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.89
Rot. Bonds3

About CID 175753214

CID 175753214 (PubChem CID 175753214) has the molecular formula C18H20KN4O3S and a molecular weight of 411.55 g/mol.

Molecular Properties

Compound NameCID 175753214
PubChem CID175753214
Molecular FormulaC18H20KN4O3S
Molecular Weight411.55 g/mol
Exact Mass411.09
IUPAC Name—
SMILESCc1nccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C18H20N4O3S.K/c1-11-17(20-9-8-19-11)26(24,25)22-18(23)21-16-14-6-2-4-12(14)10-13-5-3-7-15(13)16;/h8-10H,2-7H2,1H3,(H2,21,22,23);
InChIKeySRVXWNAPZOJVJE-UHFFFAOYSA-N
XLogP1.89
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
CID 137404021
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
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
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyrimidine-4-carboxamide
CID 137403439
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxopropyl)pyrimidin-2-yl]sulfonylurea
CID 157113726
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
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135241185

Frequently Asked Questions

What is the IUPAC name of CID 175753214?
The IUPAC name of CID 175753214 (CID 175753214) is not available.
What is the SMILES notation for CID 175753214?
The canonical SMILES for CID 175753214 is Cc1nccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K].
What is the InChIKey of CID 175753214?
The InChIKey is SRVXWNAPZOJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S.K/c1-11-17(20-9-8-19-11)26(24,25)22-18(23)21-16-14-6-2-4-12(14)10-13-5-3-7-15(13)16;/h8-10H,2-7H2,1H3,(H2,21,22,23);.
What are the key properties of CID 175753214?
CID 175753214 has a molecular weight of 411.55 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175753214 is sourced from PubChem (CID 175753214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).