N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C18H20ClNO3S — CID 20968320

IUPACN-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-6-8-15(9-7-14)13-24(22,23)11-10-18(21)20-12-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyLJYZYKGTHNUAHE-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.27
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 20968320) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID20968320
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-6-8-15(9-7-14)13-24(22,23)11-10-18(21)20-12-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyLJYZYKGTHNUAHE-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 20968320) is N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is LJYZYKGTHNUAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14-6-8-15(9-7-14)13-24(22,23)11-10-18(21)20-12-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 365.88 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 20968320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).