2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide

C20H26N2O4S — CID 30257371

IUPAC2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-15-26-19-11-9-18(10-12-19)22(27(2,24)25)16-20(23)21-14-13-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,21,23)
InChIKeyIPGLONOSJSKTGR-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.60
Rot. Bonds10

About 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide

2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide (PubChem CID 30257371) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
PubChem CID30257371
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-15-26-19-11-9-18(10-12-19)22(27(2,24)25)16-20(23)21-14-13-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,21,23)
InChIKeyIPGLONOSJSKTGR-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30268815
N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30276609
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30248258
2-(N-methylsulfonyl-4-propoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100576300
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2281472
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide (CID 30257371) is 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide is CCCOc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is IPGLONOSJSKTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-15-26-19-11-9-18(10-12-19)22(27(2,24)25)16-20(23)21-14-13-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,21,23).
What are the key properties of 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide?
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 30257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).