N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide

C19H23NOS — CID 99132067

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C19H23NOS/c1-5-22-18-9-7-6-8-17(18)19(21)20-15(4)16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyVHDUNAVOFITAAY-HNNXBMFYSA-N
MW313.47 g/mol
LogP4.91
Rot. Bonds5

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide (PubChem CID 99132067) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
PubChem CID99132067
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C19H23NOS/c1-5-22-18-9-7-6-8-17(18)19(21)20-15(4)16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyVHDUNAVOFITAAY-HNNXBMFYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
N-[1-(2,4-dimethylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 132652311
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
CID 24624411
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide (CID 99132067) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide?
The InChIKey is VHDUNAVOFITAAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-5-22-18-9-7-6-8-17(18)19(21)20-15(4)16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide has a molecular weight of 313.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 99132067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).