CID 59206976

C24H21N2O5S — CID 59206976

IUPAC—
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C24H21N2O5S/c1-15-5-7-18(13-20(15)16-3-2-4-19(11-16)32(25,28)29)26-23(27)24(9-10-24)17-6-8-21-22(12-17)31-14-30-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27)
InChIKeyCVJPKPXQNBAUCN-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.03
Rot. Bonds5

About CID 59206976

CID 59206976 (PubChem CID 59206976) has the molecular formula C24H21N2O5S and a molecular weight of 449.51 g/mol.

Molecular Properties

Compound NameCID 59206976
PubChem CID59206976
Molecular FormulaC24H21N2O5S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name—
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1
InChIInChI=1S/C24H21N2O5S/c1-15-5-7-18(13-20(15)16-3-2-4-19(11-16)32(25,28)29)26-23(27)24(9-10-24)17-6-8-21-22(12-17)31-14-30-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27)
InChIKeyCVJPKPXQNBAUCN-UHFFFAOYSA-N
XLogP4.03
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59206045
CID 59206045
CID 59256231
CID 59256231
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
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-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
CID 59206290
N-[3-(3-amino-4-methylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159139992
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
(2R)-2-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]sulfonylamino]propanoic acid
CID 59206291
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(1,3-dihydroxypropan-2-ylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206259
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(propan-2-ylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 162127444
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111

Frequently Asked Questions

What is the IUPAC name of CID 59206976?
The IUPAC name of CID 59206976 (CID 59206976) is not available.
What is the SMILES notation for CID 59206976?
The canonical SMILES for CID 59206976 is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S([NH])(=O)=O)c1.
What is the InChIKey of CID 59206976?
The InChIKey is CVJPKPXQNBAUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O5S/c1-15-5-7-18(13-20(15)16-3-2-4-19(11-16)32(25,28)29)26-23(27)24(9-10-24)17-6-8-21-22(12-17)31-14-30-21/h2-8,11-13,25H,9-10,14H2,1H3,(H,26,27).
What are the key properties of CID 59206976?
CID 59206976 has a molecular weight of 449.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59206976 is sourced from PubChem (CID 59206976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).