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

C20H25NO3S — CID 5167231

IUPACN-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-17-8-10-18(11-9-17)14-21-20(22)12-13-25(23,24)15-19-6-4-16(2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,21,22)
InChIKeyHCXBRNWXOYHPQX-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.18
Rot. Bonds8

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

N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 5167231) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID5167231
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-17-8-10-18(11-9-17)14-21-20(22)12-13-25(23,24)15-19-6-4-16(2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,21,22)
InChIKeyHCXBRNWXOYHPQX-UHFFFAOYSA-N
XLogP3.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 5167231) is N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is CCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is HCXBRNWXOYHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-17-8-10-18(11-9-17)14-21-20(22)12-13-25(23,24)15-19-6-4-16(2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 359.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 5167231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).