2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide

C17H19NO5S — CID 4306505

IUPAC2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-9-16(23-2)15(10-14)18-17(19)12-24(20,21)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeySYBWFDVEASWZIV-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.26
Rot. Bonds7

About 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide

2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 4306505) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID4306505
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-9-16(23-2)15(10-14)18-17(19)12-24(20,21)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeySYBWFDVEASWZIV-UHFFFAOYSA-N
XLogP2.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
Rac1-IN-5
CID 2198266
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-phenyl-acetamide
CID 645150
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N-(2,5-dimethoxyphenyl)-2-(methylthio)benzamide
CID 966884
N-{2,5-dimethoxy-4-[(methylsulfonyl)amino]phenyl}benzamide
CID 1320984
N-(4-{[(4-fluorophenyl)sulfonyl]amino}-2,5-dimethoxyphenyl)acetamide
CID 1362037

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide (CID 4306505) is 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is SYBWFDVEASWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-14-8-9-16(23-2)15(10-14)18-17(19)12-24(20,21)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide?
2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 4306505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).