CID 155225081

C22H29N5NaO4S — CID 155225081

IUPAC—
SMILESCn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.[Na]
InChIInChI=1S/C22H29N5O4S.Na/c1-26-13-20(23-14-26)27(17-8-10-31-11-9-17)32(29,30)25-22(28)24-21-18-6-2-4-15(18)12-16-5-3-7-19(16)21;/h12-14,17H,2-11H2,1H3,(H2,24,25,28);
InChIKeyKUJMSUVGQOBXLX-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.07
Rot. Bonds5

About CID 155225081

CID 155225081 (PubChem CID 155225081) has the molecular formula C22H29N5NaO4S and a molecular weight of 482.56 g/mol.

Molecular Properties

Compound NameCID 155225081
PubChem CID155225081
Molecular FormulaC22H29N5NaO4S
Molecular Weight482.56 g/mol
Exact Mass482.18
IUPAC Name—
SMILESCn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.[Na]
InChIInChI=1S/C22H29N5O4S.Na/c1-26-13-20(23-14-26)27(17-8-10-31-11-9-17)32(29,30)25-22(28)24-21-18-6-2-4-15(18)12-16-5-3-7-19(16)21;/h12-14,17H,2-11H2,1H3,(H2,24,25,28);
InChIKeyKUJMSUVGQOBXLX-UHFFFAOYSA-N
XLogP2.07
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155225246
CID 155225246
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-1,2,4-triazol-3-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155225247
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyltetrazol-5-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155459327
CID 155225191
CID 155225191
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
CID 155225109
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfamoyl]urea
CID 147043030
CID 175825416
CID 175825416
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]sulfamoyl]urea
CID 155225134
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(2S,4R)-2-methyloxan-4-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155459315
1-[(3,3-dimethyloxan-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155225206
CID 155225310
CID 155225310
sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[(2-methyltetrazol-5-yl)-(oxan-4-yl)sulfamoyl]azanide
CID 158292127

Frequently Asked Questions

What is the IUPAC name of CID 155225081?
The IUPAC name of CID 155225081 (CID 155225081) is not available.
What is the SMILES notation for CID 155225081?
The canonical SMILES for CID 155225081 is Cn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.[Na].
What is the InChIKey of CID 155225081?
The InChIKey is KUJMSUVGQOBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S.Na/c1-26-13-20(23-14-26)27(17-8-10-31-11-9-17)32(29,30)25-22(28)24-21-18-6-2-4-15(18)12-16-5-3-7-19(16)21;/h12-14,17H,2-11H2,1H3,(H2,24,25,28);.
What are the key properties of CID 155225081?
CID 155225081 has a molecular weight of 482.56 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155225081 is sourced from PubChem (CID 155225081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).