3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

C20H25NO3S — CID 9164941

IUPAC3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-8-12-19(13-9-16)25(23,24)15-14-20(22)21-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyIOIYMQXAVWXCSS-QGZVFWFLSA-N
MW359.49 g/mol
LogP3.30
Rot. Bonds8

About 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 9164941) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID9164941
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-8-12-19(13-9-16)25(23,24)15-14-20(22)21-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyIOIYMQXAVWXCSS-QGZVFWFLSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
methyl (2S)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-phenylpropanoate
CID 9375743
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 17225917
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 9164941) is 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is IOIYMQXAVWXCSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16-8-12-19(13-9-16)25(23,24)15-14-20(22)21-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17H,10-11,14-15H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 359.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 9164941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).