N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

C19H23NO3S — CID 26371719

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23NO3S/c1-13-8-9-14(2)18(10-13)15(3)20-19(21)17-7-5-6-16(11-17)12-24(4,22)23/h5-11,15H,12H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWSBJWJJLJQQBRV-HNNXBMFYSA-N
MW345.46 g/mol
LogP3.34
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 26371719) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID26371719
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23NO3S/c1-13-8-9-14(2)18(10-13)15(3)20-19(21)17-7-5-6-16(11-17)12-24(4,22)23/h5-11,15H,12H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyWSBJWJJLJQQBRV-HNNXBMFYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
N-[(2,4-dimethylphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 52571231
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (CID 26371719) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(CS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is WSBJWJJLJQQBRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-8-9-14(2)18(10-13)15(3)20-19(21)17-7-5-6-16(11-17)12-24(4,22)23/h5-11,15H,12H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 345.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26371719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).