2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide

C21H28N2O4S — CID 45373181

IUPAC2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(28(25,26)20-13-11-19(12-14-20)27-6-2)15-21(24)22-18-9-7-17(8-10-18)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyXCMWRVXVKIKNQR-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.86
Rot. Bonds9

About 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 45373181) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID45373181
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(28(25,26)20-13-11-19(12-14-20)27-6-2)15-21(24)22-18-9-7-17(8-10-18)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyXCMWRVXVKIKNQR-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-ethoxyphenyl)acetamide
CID 2173217
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 51169159
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 45373181) is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XCMWRVXVKIKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(28(25,26)20-13-11-19(12-14-20)27-6-2)15-21(24)22-18-9-7-17(8-10-18)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 45373181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).