4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide

C20H26N2O4S — CID 53287187

IUPAC4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)NC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-16-10-12-17(13-11-16)20(23)21-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyZJOXQDQIIRWVRX-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.19
Rot. Bonds8

About 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide

4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide (PubChem CID 53287187) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
PubChem CID53287187
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)NC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-16-10-12-17(13-11-16)20(23)21-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyZJOXQDQIIRWVRX-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571657
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 53287155
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 125078810
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
N-(2-bicyclo[2.2.1]heptanyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287255
(2R)-2-[(4-bromophenyl)methyl-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125072188
2-[(4-chlorophenyl)methyl-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 132681579
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133210617
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide (CID 53287187) is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide is CCOc1ccccc1N(Cc1ccc(C(=O)NC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ZJOXQDQIIRWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-16-10-12-17(13-11-16)20(23)21-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23).
What are the key properties of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide?
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53287187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).