CID 155225191

C23H29N5NaO4S — CID 155225191

IUPAC—
SMILESCc1ncc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na]
InChIInChI=1S/C23H29N5O4S.Na/c1-15-24-13-19(14-25-15)28(18-8-10-32-11-9-18)33(30,31)27-23(29)26-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;/h12-14,18H,2-11H2,1H3,(H2,26,27,29);
InChIKeyXGMFTFXOYVPNIJ-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.43
Rot. Bonds5

About CID 155225191

CID 155225191 (PubChem CID 155225191) has the molecular formula C23H29N5NaO4S and a molecular weight of 494.57 g/mol.

Molecular Properties

Compound NameCID 155225191
PubChem CID155225191
Molecular FormulaC23H29N5NaO4S
Molecular Weight494.57 g/mol
Exact Mass494.18
IUPAC Name—
SMILESCc1ncc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na]
InChIInChI=1S/C23H29N5O4S.Na/c1-15-24-13-19(14-25-15)28(18-8-10-32-11-9-18)33(30,31)27-23(29)26-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;/h12-14,18H,2-11H2,1H3,(H2,26,27,29);
InChIKeyXGMFTFXOYVPNIJ-UHFFFAOYSA-N
XLogP2.43
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155225081
CID 155225081
CID 155225246
CID 155225246
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-[(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
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
CID 155225437
CID 155225437

Frequently Asked Questions

What is the IUPAC name of CID 155225191?
The IUPAC name of CID 155225191 (CID 155225191) is not available.
What is the SMILES notation for CID 155225191?
The canonical SMILES for CID 155225191 is Cc1ncc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na].
What is the InChIKey of CID 155225191?
The InChIKey is XGMFTFXOYVPNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S.Na/c1-15-24-13-19(14-25-15)28(18-8-10-32-11-9-18)33(30,31)27-23(29)26-22-20-6-2-4-16(20)12-17-5-3-7-21(17)22;/h12-14,18H,2-11H2,1H3,(H2,26,27,29);.
What are the key properties of CID 155225191?
CID 155225191 has a molecular weight of 494.57 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155225191 is sourced from PubChem (CID 155225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).