ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate

C21H23NO4S — CID 142718705

IUPACethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C21H23NO4S/c1-2-26-21(23)20-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)22-27(24,25)17-12-13-17/h3-11,17-20,22H,2,12-13H2,1H3
InChIKeyXQWVZSDDBMXPKF-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.65
Rot. Bonds7

About ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate

ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate (PubChem CID 142718705) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate
PubChem CID142718705
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Nameethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C21H23NO4S/c1-2-26-21(23)20-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)22-27(24,25)17-12-13-17/h3-11,17-20,22H,2,12-13H2,1H3
InChIKeyXQWVZSDDBMXPKF-UHFFFAOYSA-N
XLogP3.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,4-Dimethylphenyl)methyl]-3-[2-[4-(methanesulfonamido)phenyl]acetyl]oxypropyl] 2,2-dimethylpropanoate
CID 44313361
7-[4-[[4-(Methanesulfonamido)phenyl]methyl]phenyl]heptanoic acid
CID 15667464
2-[4-(Propan-2-ylsulfonylamino)phenyl]propanoic acid
CID 44427701
Ethyl 4-(4-aminophenyl)-2-phenylbutanoate
CID 53238118
methyl 2-[4-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]phenyl]acetate
CID 155563058
Ethyl 6-[(2,4-difluorophenyl)sulfamoyl]-3-phenylcyclohexene-1-carboxylate
CID 9953951
Ethyl 2-[3-fluoro-4-(metylsulfonylamino)phenyl]propionate
CID 24754385
Ethyl 2-[3-fluoro-4-(propan-2-ylsulfonylamino)phenyl]propanoate
CID 58873259
Ethyl 2-[3-fluoro-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]propanoate
CID 58873512
Ethyl 2-[4-(ethylsulfonylamino)-3-fluorophenyl]propanoate
CID 58873606
Ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate
CID 59637274
Ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(4-methylphenyl)acetate
CID 59637277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate (CID 142718705) is ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate is CCOC(=O)C1C(c2ccccc2)C1c1ccc(NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate?
The InChIKey is XQWVZSDDBMXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-2-26-21(23)20-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)22-27(24,25)17-12-13-17/h3-11,17-20,22H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate?
ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropylsulfonylamino)phenyl]-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 142718705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).