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

C19H23FN2O3S — CID 43895867

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23FN2O3S/c1-13-5-6-16(11-14(13)2)15(3)21-19(23)12-22(26(4,24)25)18-9-7-17(20)8-10-18/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyGZRAEALLJYWMOP-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.09
Rot. Bonds6

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

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 43895867) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID43895867
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23FN2O3S/c1-13-5-6-16(11-14(13)2)15(3)21-19(23)12-22(26(4,24)25)18-9-7-17(20)8-10-18/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyGZRAEALLJYWMOP-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 132660256
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896190
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43898693
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30252772
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43899195
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 43895867) is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is Cc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is GZRAEALLJYWMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13-5-6-16(11-14(13)2)15(3)21-19(23)12-22(26(4,24)25)18-9-7-17(20)8-10-18/h5-11,15H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43895867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).