CID 59206045

C25H23N2O5S — CID 59206045

IUPAC—
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C25H23N2O5S/c1-2-16-6-8-19(14-21(16)17-4-3-5-20(12-17)33(26,29)30)27-24(28)25(10-11-25)18-7-9-22-23(13-18)32-15-31-22/h3-9,12-14,26H,2,10-11,15H2,1H3,(H,27,28)
InChIKeyNAVZPIRMTKNYAU-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.29
Rot. Bonds6

About CID 59206045

CID 59206045 (PubChem CID 59206045) has the molecular formula C25H23N2O5S and a molecular weight of 463.54 g/mol.

Molecular Properties

Compound NameCID 59206045
PubChem CID59206045
Molecular FormulaC25H23N2O5S
Molecular Weight463.54 g/mol
Exact Mass463.13
IUPAC Name—
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C25H23N2O5S/c1-2-16-6-8-19(14-21(16)17-4-3-5-20(12-17)33(26,29)30)27-24(28)25(10-11-25)18-7-9-22-23(13-18)32-15-31-22/h3-9,12-14,26H,2,10-11,15H2,1H3,(H,27,28)
InChIKeyNAVZPIRMTKNYAU-UHFFFAOYSA-N
XLogP4.29
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
CID 59206290
CID 59206976
CID 59206976
CID 59256231
CID 59256231
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206486
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206670
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206999
N-[3-[3-(aminomethyl)phenyl]-4-chlorophenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59206959
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206683
1-(1,3-benzodioxol-5-yl)-N-[3-methyl-4-(3-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159905939
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N,N-dimethylbenzamide
CID 59206428

Frequently Asked Questions

What is the IUPAC name of CID 59206045?
The IUPAC name of CID 59206045 (CID 59206045) is not available.
What is the SMILES notation for CID 59206045?
The canonical SMILES for CID 59206045 is CCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1.
What is the InChIKey of CID 59206045?
The InChIKey is NAVZPIRMTKNYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O5S/c1-2-16-6-8-19(14-21(16)17-4-3-5-20(12-17)33(26,29)30)27-24(28)25(10-11-25)18-7-9-22-23(13-18)32-15-31-22/h3-9,12-14,26H,2,10-11,15H2,1H3,(H,27,28).
What are the key properties of CID 59206045?
CID 59206045 has a molecular weight of 463.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59206045 is sourced from PubChem (CID 59206045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).