CID 66921358

C25H28N2NaO5S — CID 66921358

IUPAC—
SMILESCC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1.[Na]
InChIInChI=1S/C25H28N2O5S.Na/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29;/h4-15H,16-18H2,1-3H3,(H,28,29);
InChIKeyLMHFDTZFSFNOJH-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.85
Rot. Bonds9

About CID 66921358

CID 66921358 (PubChem CID 66921358) has the molecular formula C25H28N2NaO5S and a molecular weight of 491.57 g/mol.

Molecular Properties

Compound NameCID 66921358
PubChem CID66921358
Molecular FormulaC25H28N2NaO5S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name—
SMILESCC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1.[Na]
InChIInChI=1S/C25H28N2O5S.Na/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29;/h4-15H,16-18H2,1-3H3,(H,28,29);
InChIKeyLMHFDTZFSFNOJH-UHFFFAOYSA-N
XLogP3.85
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 66921358 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

2-[3-[[[4-(1,2-dihydroxypropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
CID 10238971
2-[3-[[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]methyl]phenoxy]acetic acid
CID 10206935
2-[3-[[(4-tert-butylphenyl)sulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenoxy]acetic acid
CID 177380868
3-[[6-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]propanoic acid;hydrochloride
CID 155521506
sodium;2-[3-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]-2-methylphenoxy]acetic acid;hydride
CID 173214882
2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]anilino]acetic acid
CID 177380872
2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid;trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 11366476
2-[3-[[naphthalen-2-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]acetic acid
CID 177380860
2-[3-[[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]methyl]phenyl]acetic acid
CID 10140611
2-[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]acetic acid
CID 177380857
3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid
CID 18376209
2-[[6-[[[4-(3-ethoxyphenyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 118689988

Frequently Asked Questions

What is the IUPAC name of CID 66921358?
The IUPAC name of CID 66921358 (CID 66921358) is not available.
What is the SMILES notation for CID 66921358?
The canonical SMILES for CID 66921358 is CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1.[Na].
What is the InChIKey of CID 66921358?
The InChIKey is LMHFDTZFSFNOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S.Na/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29;/h4-15H,16-18H2,1-3H3,(H,28,29);.
What are the key properties of CID 66921358?
CID 66921358 has a molecular weight of 491.57 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66921358 is sourced from PubChem (CID 66921358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).