2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C23H32N2O4S — CID 126322569

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O4S/c1-5-20-9-6-7-10-22(20)25(17-23(26)24-15-8-16-29-18(2)3)30(27,28)21-13-11-19(4)12-14-21/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26)
InChIKeyMQWCOZYLLSIMCC-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.68
Rot. Bonds11

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126322569) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126322569
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O4S/c1-5-20-9-6-7-10-22(20)25(17-23(26)24-15-8-16-29-18(2)3)30(27,28)21-13-11-19(4)12-14-21/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26)
InChIKeyMQWCOZYLLSIMCC-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30170701
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30199719
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217749
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30210904

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 126322569) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is CCc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is MQWCOZYLLSIMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-5-20-9-6-7-10-22(20)25(17-23(26)24-15-8-16-29-18(2)3)30(27,28)21-13-11-19(4)12-14-21/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126322569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).