1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide

C27H28N2O5S — CID 59206290

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C27H28N2O5S/c1-4-18-8-10-21(16-23(18)19-6-5-7-22(14-19)35(31,32)29(2)3)28-26(30)27(12-13-27)20-9-11-24-25(15-20)34-17-33-24/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,28,30)
InChIKeyMRSKDCNSODZIFJ-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.57
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide (PubChem CID 59206290) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
PubChem CID59206290
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C27H28N2O5S/c1-4-18-8-10-21(16-23(18)19-6-5-7-22(14-19)35(31,32)29(2)3)28-26(30)27(12-13-27)20-9-11-24-25(15-20)34-17-33-24/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,28,30)
InChIKeyMRSKDCNSODZIFJ-UHFFFAOYSA-N
XLogP4.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59206045
CID 59206045
CID 59206976
CID 59206976
1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166188
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161163136
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
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159954531
N-[3-[3-(aminomethyl)phenyl]-4-chlorophenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59206959
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide (CID 59206290) is 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide is CCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide?
The InChIKey is MRSKDCNSODZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-4-18-8-10-21(16-23(18)19-6-5-7-22(14-19)35(31,32)29(2)3)28-26(30)27(12-13-27)20-9-11-24-25(15-20)34-17-33-24/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,28,30).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).