2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide

C20H26N2O4S — CID 113155347

IUPAC2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
SMILESCC(C)Oc1ccccc1N(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)22(27(4,24)25)14-20(23)21-16(3)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyWUGGVKNKDPYPNR-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.12
Rot. Bonds8

About 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide

2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide (PubChem CID 113155347) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
PubChem CID113155347
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
SMILESCC(C)Oc1ccccc1N(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)22(27(4,24)25)14-20(23)21-16(3)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyWUGGVKNKDPYPNR-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide (CID 113155347) is 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide is CC(C)Oc1ccccc1N(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is WUGGVKNKDPYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)22(27(4,24)25)14-20(23)21-16(3)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,21,23).
What are the key properties of 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide?
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113155347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).