2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

C21H28N2O4S — CID 33433831

IUPAC2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-3-4-5-17-6-8-18(9-7-17)16-21(24)22-14-15-23-28(25,26)20-12-10-19(27-2)11-13-20/h6-13,23H,3-5,14-16H2,1-2H3,(H,22,24)
InChIKeyRARBIGZKQADLQD-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.67
Rot. Bonds11

About 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 33433831) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID33433831
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-3-4-5-17-6-8-18(9-7-17)16-21(24)22-14-15-23-28(25,26)20-12-10-19(27-2)11-13-20/h6-13,23H,3-5,14-16H2,1-2H3,(H,22,24)
InChIKeyRARBIGZKQADLQD-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17310703
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (CID 33433831) is 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is CCCCc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is RARBIGZKQADLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-3-4-5-17-6-8-18(9-7-17)16-21(24)22-14-15-23-28(25,26)20-12-10-19(27-2)11-13-20/h6-13,23H,3-5,14-16H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 33433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).