N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C19H23NO4S — CID 5068931

IUPACN-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO4S/c1-15-6-8-16(9-7-15)14-25(22,23)11-10-19(21)20-13-17-4-3-5-18(12-17)24-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyNVFXFTJTTFEIEK-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.62
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 5068931) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID5068931
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO4S/c1-15-6-8-16(9-7-15)14-25(22,23)11-10-19(21)20-13-17-4-3-5-18(12-17)24-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyNVFXFTJTTFEIEK-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 5068931) is N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is COc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is NVFXFTJTTFEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15-6-8-16(9-7-15)14-25(22,23)11-10-19(21)20-13-17-4-3-5-18(12-17)24-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 5068931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).