CID 175825416

C23H31N5NaO4S — CID 175825416

IUPAC—
SMILESC[C@H]1C[C@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CCO1.[Na]
InChIInChI=1S/C23H31N5O4S.Na/c1-15-11-18(9-10-32-15)28(19-13-24-27(2)14-19)33(30,31)26-23(29)25-22-20-7-3-5-16(20)12-17-6-4-8-21(17)22;/h12-15,18H,3-11H2,1-2H3,(H2,25,26,29);/t15-,18+;/m0./s1
InChIKeyPPIALRRVELKAKA-QVNYQEOOSA-N
MW496.59 g/mol
LogP2.46
Rot. Bonds5

About CID 175825416

CID 175825416 (PubChem CID 175825416) has the molecular formula C23H31N5NaO4S and a molecular weight of 496.59 g/mol.

Molecular Properties

Compound NameCID 175825416
PubChem CID175825416
Molecular FormulaC23H31N5NaO4S
Molecular Weight496.59 g/mol
Exact Mass496.20
IUPAC Name—
SMILESC[C@H]1C[C@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CCO1.[Na]
InChIInChI=1S/C23H31N5O4S.Na/c1-15-11-18(9-10-32-15)28(19-13-24-27(2)14-19)33(30,31)26-23(29)25-22-20-7-3-5-16(20)12-17-6-4-8-21(17)22;/h12-15,18H,3-11H2,1-2H3,(H2,25,26,29);/t15-,18+;/m0./s1
InChIKeyPPIALRRVELKAKA-QVNYQEOOSA-N
XLogP2.46
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze CID 175825416 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
CID 155225437
CID 155225437
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
CID 155225310
CID 155225310
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-[(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
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
CID 155225191
CID 155225191
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 155225246
CID 155225246
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptan-6-yl]sulfamoyl]urea
CID 155459273
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278

Frequently Asked Questions

What is the IUPAC name of CID 175825416?
The IUPAC name of CID 175825416 (CID 175825416) is not available.
What is the SMILES notation for CID 175825416?
The canonical SMILES for CID 175825416 is C[C@H]1C[C@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CCO1.[Na].
What is the InChIKey of CID 175825416?
The InChIKey is PPIALRRVELKAKA-QVNYQEOOSA-N. The full InChI is InChI=1S/C23H31N5O4S.Na/c1-15-11-18(9-10-32-15)28(19-13-24-27(2)14-19)33(30,31)26-23(29)25-22-20-7-3-5-16(20)12-17-6-4-8-21(17)22;/h12-15,18H,3-11H2,1-2H3,(H2,25,26,29);/t15-,18+;/m0./s1.
What are the key properties of CID 175825416?
CID 175825416 has a molecular weight of 496.59 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175825416 is sourced from PubChem (CID 175825416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).