2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide

C20H26N2O4S — CID 113150910

IUPAC2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)21-20(23)14-22(27(4,24)25)16(3)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyFDEGYNGPZHMWLK-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds8

About 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113150910) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113150910
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)21-20(23)14-22(27(4,24)25)16(3)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyFDEGYNGPZHMWLK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280099
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 113150910) is 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is FDEGYNGPZHMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)26-19-13-9-8-12-18(19)21-20(23)14-22(27(4,24)25)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-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113150910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).