2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide

C18H21NO4S — CID 110778748

IUPAC2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-13(2)24(21,22)17-9-7-15(8-10-17)19-18(20)12-14-5-4-6-16(11-14)23-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyNPYHXGMFJISNEW-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide

2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 110778748) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID110778748
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-13(2)24(21,22)17-9-7-15(8-10-17)19-18(20)12-14-5-4-6-16(11-14)23-3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyNPYHXGMFJISNEW-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975016
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide (CID 110778748) is 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is NPYHXGMFJISNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(2)24(21,22)17-9-7-15(8-10-17)19-18(20)12-14-5-4-6-16(11-14)23-3/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 110778748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).