2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

C25H28N2O4S — CID 133185426

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-13-15-22(16-14-19)32(29,30)27(23-11-7-8-12-24(23)31-3)18-25(28)26-17-20(2)21-9-5-4-6-10-21/h4-16,20H,17-18H2,1-3H3,(H,26,28)
InChIKeyFGTSSPZYFVFSRH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.12
Rot. Bonds9

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 133185426) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID133185426
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-13-15-22(16-14-19)32(29,30)27(23-11-7-8-12-24(23)31-3)18-25(28)26-17-20(2)21-9-5-4-6-10-21/h4-16,20H,17-18H2,1-3H3,(H,26,28)
InChIKeyFGTSSPZYFVFSRH-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057674
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2R)-2-phenylpropyl]acetamide
CID 125057558

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 133185426) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is COc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is FGTSSPZYFVFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-13-15-22(16-14-19)32(29,30)27(23-11-7-8-12-24(23)31-3)18-25(28)26-17-20(2)21-9-5-4-6-10-21/h4-16,20H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133185426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).