N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C20H25FN2O3S — CID 30244091

IUPACN-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-5-19(18-10-9-14(2)11-15(18)3)22-20(24)13-23(27(4,25)26)17-8-6-7-16(21)12-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyUGQJXBIRBQRNDN-IBGZPJMESA-N
MW392.50 g/mol
LogP3.48
Rot. Bonds7

About N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 30244091) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID30244091
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-5-19(18-10-9-14(2)11-15(18)3)22-20(24)13-23(27(4,25)26)17-8-6-7-16(21)12-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyUGQJXBIRBQRNDN-IBGZPJMESA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30219832
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30225236
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43896089
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
N-[1-(2,4-dimethylphenyl)propyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43894438
2-(3-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28632601

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 30244091) is N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is UGQJXBIRBQRNDN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-5-19(18-10-9-14(2)11-15(18)3)22-20(24)13-23(27(4,25)26)17-8-6-7-16(21)12-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30244091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).