N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

C20H25NO3S — CID 60511799

IUPACN-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)18-9-4-16(5-10-18)8-13-20(22)21-14-17-6-11-19(12-7-17)25(3,23)24/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22)
InChIKeyZXNCMXYYKVAXDY-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 60511799) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID60511799
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)18-9-4-16(5-10-18)8-13-20(22)21-14-17-6-11-19(12-7-17)25(3,23)24/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22)
InChIKeyZXNCMXYYKVAXDY-UHFFFAOYSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24549159
2,2-dimethyl-3-[3-(4-propan-2-ylphenyl)propanoylamino]propanoic acid
CID 119250000

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (CID 60511799) is N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ZXNCMXYYKVAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15(2)18-9-4-16(5-10-18)8-13-20(22)21-14-17-6-11-19(12-7-17)25(3,23)24/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 359.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 60511799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).