N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

C19H23FN2O4S — CID 70792977

IUPACN-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1CF
InChIInChI=1S/C19H23FN2O4S/c1-4-26-18-11-17(10-7-15(18)12-20)21-19(23)14-5-8-16(9-6-14)22-27(24,25)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyMYCDGYILYFQUCM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.96
Rot. Bonds8

About N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 70792977) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID70792977
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1CF
InChIInChI=1S/C19H23FN2O4S/c1-4-26-18-11-17(10-7-15(18)12-20)21-19(23)14-5-8-16(9-6-14)22-27(24,25)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyMYCDGYILYFQUCM-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
CID 20629875
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 70792977) is N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is CCOc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1CF.
What is the InChIKey of N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is MYCDGYILYFQUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-4-26-18-11-17(10-7-15(18)12-20)21-19(23)14-5-8-16(9-6-14)22-27(24,25)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 70792977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).