2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C18H22N2O4S — CID 2891284

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(15-8-5-4-6-9-15)19-18(21)13-20(25(3,22)23)16-10-7-11-17(12-16)24-2/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyYWXSPFLPHPVAFS-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.34
Rot. Bonds7

About 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 2891284) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID2891284
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(15-8-5-4-6-9-15)19-18(21)13-20(25(3,22)23)16-10-7-11-17(12-16)24-2/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyYWXSPFLPHPVAFS-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 2891284) is 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is COc1cccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is YWXSPFLPHPVAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(15-8-5-4-6-9-15)19-18(21)13-20(25(3,22)23)16-10-7-11-17(12-16)24-2/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2891284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).