N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C23H27FN2O5S — CID 30669639

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C23H27FN2O5S/c1-2-31-21-8-7-19(32(28,29)26-11-13-30-14-12-26)16-20(21)25-22(27)23(9-4-10-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,25,27)
InChIKeySTBLAWBNUVJITF-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.31
Rot. Bonds7

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 30669639) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID30669639
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C23H27FN2O5S/c1-2-31-21-8-7-19(32(28,29)26-11-13-30-14-12-26)16-20(21)25-22(27)23(9-4-10-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,25,27)
InChIKeySTBLAWBNUVJITF-UHFFFAOYSA-N
XLogP3.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7719519
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CID 8502005
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 39991041
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526230
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
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N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
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N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55395583
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 30669639) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is STBLAWBNUVJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-2-31-21-8-7-19(32(28,29)26-11-13-30-14-12-26)16-20(21)25-22(27)23(9-4-10-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,25,27).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 30669639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).