CID 175825031

C23H33N5NaO3S — CID 175825031

IUPAC—
SMILESCC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.[Na]
InChIInChI=1S/C23H33N5O3S.Na/c1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;/h13-15H,5-12H2,1-4H3,(H2,24,26,29);
InChIKeyOREOLSDCYAFWBT-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.68
Rot. Bonds7

About CID 175825031

CID 175825031 (PubChem CID 175825031) has the molecular formula C23H33N5NaO3S and a molecular weight of 482.61 g/mol.

Molecular Properties

Compound NameCID 175825031
PubChem CID175825031
Molecular FormulaC23H33N5NaO3S
Molecular Weight482.61 g/mol
Exact Mass482.22
IUPAC Name—
SMILESCC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.[Na]
InChIInChI=1S/C23H33N5O3S.Na/c1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;/h13-15H,5-12H2,1-4H3,(H2,24,26,29);
InChIKeyOREOLSDCYAFWBT-UHFFFAOYSA-N
XLogP2.68
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-3-sulfonamide;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 158130576
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
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 175825067
CID 175825067
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide
CID 137499517
CID 175753183
CID 175753183
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea
CID 162036273
CID 175947030
CID 175947030
1-[[1-[2-(dimethylamino)ethyl]-6-oxo-3-pyridinyl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402954
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 137499616
1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea
CID 161225114
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473

Frequently Asked Questions

What is the IUPAC name of CID 175825031?
The IUPAC name of CID 175825031 (CID 175825031) is not available.
What is the SMILES notation for CID 175825031?
The canonical SMILES for CID 175825031 is CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.[Na].
What is the InChIKey of CID 175825031?
The InChIKey is OREOLSDCYAFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S.Na/c1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;/h13-15H,5-12H2,1-4H3,(H2,24,26,29);.
What are the key properties of CID 175825031?
CID 175825031 has a molecular weight of 482.61 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175825031 is sourced from PubChem (CID 175825031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).