N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide

C20H25NO3S — CID 18200681

IUPACN-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)20(17-7-5-4-6-8-17)21-19(22)13-14-25(23,24)18-11-9-16(3)10-12-18/h4-12,15,20H,13-14H2,1-3H3,(H,21,22)
InChIKeyHGWAFVFOBOCPCF-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.67
Rot. Bonds7

About N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 18200681) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID18200681
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-15(2)20(17-7-5-4-6-8-17)21-19(22)13-14-25(23,24)18-11-9-16(3)10-12-18/h4-12,15,20H,13-14H2,1-3H3,(H,21,22)
InChIKeyHGWAFVFOBOCPCF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 9164941
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-phenylpropanoate
CID 9375743
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 112795627
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 18200681) is N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is HGWAFVFOBOCPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15(2)20(17-7-5-4-6-8-17)21-19(22)13-14-25(23,24)18-11-9-16(3)10-12-18/h4-12,15,20H,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 359.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 18200681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).