2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide

C16H17NO4S — CID 3543556

IUPAC2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H17NO4S/c1-12-10-13(21-2)8-9-15(12)17-16(18)11-22(19,20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyQHCCRYMWWQHDPY-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.42
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide

2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 3543556) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID3543556
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H17NO4S/c1-12-10-13(21-2)8-9-15(12)17-16(18)11-22(19,20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyQHCCRYMWWQHDPY-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]-4-chloro-5-methylbenzoate
CID 123750606
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea
CID 3263566
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7544866
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
CID 39929865

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide (CID 3543556) is 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is QHCCRYMWWQHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-10-13(21-2)8-9-15(12)17-16(18)11-22(19,20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 3543556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).