N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide

C19H23NO3S — CID 96571573

IUPACN-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
SMILESCC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-3-17(20-19(21)16-11-9-15(2)10-12-16)13-14-24(22,23)18-7-5-4-6-8-18/h4-12,17H,3,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyZKEMNGVPZTVILF-QGZVFWFLSA-N
MW345.46 g/mol
LogP3.37
Rot. Bonds7

About N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide

N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide (PubChem CID 96571573) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
PubChem CID96571573
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
SMILESCC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-3-17(20-19(21)16-11-9-15(2)10-12-16)13-14-24(22,23)18-7-5-4-6-8-18/h4-12,17H,3,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyZKEMNGVPZTVILF-QGZVFWFLSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
CID 96564832
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 96564834
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide
CID 70100440
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
CID 17495617
N-[(2R)-1-[2-(4-methylbenzoyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9366485

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide?
The IUPAC name of N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide (CID 96571573) is N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide is CC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide?
The InChIKey is ZKEMNGVPZTVILF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-17(20-19(21)16-11-9-15(2)10-12-16)13-14-24(22,23)18-7-5-4-6-8-18/h4-12,17H,3,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide?
N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide is sourced from PubChem (CID 96571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).