CID 59256231

C24H21N2O6S — CID 59256231

IUPAC—
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C24H21N2O6S/c1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27)
InChIKeyIKTBMMFYPCZLIT-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.73
Rot. Bonds6

About CID 59256231

CID 59256231 (PubChem CID 59256231) has the molecular formula C24H21N2O6S and a molecular weight of 465.51 g/mol.

Molecular Properties

Compound NameCID 59256231
PubChem CID59256231
Molecular FormulaC24H21N2O6S
Molecular Weight465.51 g/mol
Exact Mass465.11
IUPAC Name—
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C24H21N2O6S/c1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27)
InChIKeyIKTBMMFYPCZLIT-UHFFFAOYSA-N
XLogP3.73
TPSA114.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 59206976
CID 59206976
CID 59206045
CID 59206045
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-methoxyphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 162131419
1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-[4-[(Z)-pent-2-en-3-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide
CID 71034924
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
CID 59206290
N-[3-[2-(aminomethyl)phenyl]-4-methoxyphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158070320
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206710
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 59206689
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206683

Frequently Asked Questions

What is the IUPAC name of CID 59256231?
The IUPAC name of CID 59256231 (CID 59256231) is not available.
What is the SMILES notation for CID 59256231?
The canonical SMILES for CID 59256231 is COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1.
What is the InChIKey of CID 59256231?
The InChIKey is IKTBMMFYPCZLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O6S/c1-30-20-8-6-17(13-19(20)15-3-2-4-18(11-15)33(25,28)29)26-23(27)24(9-10-24)16-5-7-21-22(12-16)32-14-31-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27).
What are the key properties of CID 59256231?
CID 59256231 has a molecular weight of 465.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59256231 is sourced from PubChem (CID 59256231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).