3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H28N2O4S — CID 112789058

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-27-17-9-11-18(12-10-17)28(25,26)22-14-13-20(24)23-21-16(4)7-6-8-19(21)15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyHOCZZRASJBJGCE-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.82
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 112789058) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID112789058
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-27-17-9-11-18(12-10-17)28(25,26)22-14-13-20(24)23-21-16(4)7-6-8-19(21)15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyHOCZZRASJBJGCE-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702
3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789074
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 112789058) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is HOCZZRASJBJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-27-17-9-11-18(12-10-17)28(25,26)22-14-13-20(24)23-21-16(4)7-6-8-19(21)15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 112789058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).