N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide

C17H19NO4S — CID 7731124

IUPACN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-5-3-4-6-14(13)11-23(20,21)12-17(19)18-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHAVWRDXKHQKRNG-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.56
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide

N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide (PubChem CID 7731124) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
PubChem CID7731124
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-5-3-4-6-14(13)11-23(20,21)12-17(19)18-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHAVWRDXKHQKRNG-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 94002660
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 86989533
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide (CID 7731124) is N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide is COc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is HAVWRDXKHQKRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-5-3-4-6-14(13)11-23(20,21)12-17(19)18-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide?
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 7731124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).