N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C19H16ClFN2O3S2 — CID 30265197

IUPACN-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C19H16ClFN2O3S2/c1-13-8-9-14(11-15(13)20)22-18(24)12-23(17-6-3-2-5-16(17)21)28(25,26)19-7-4-10-27-19/h2-11H,12H2,1H3,(H,22,24)
InChIKeyKNIUIPAFVWOBSF-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.68
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30265197) has the molecular formula C19H16ClFN2O3S2 and a molecular weight of 438.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30265197
Molecular FormulaC19H16ClFN2O3S2
Molecular Weight438.93 g/mol
Exact Mass438.03
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C19H16ClFN2O3S2/c1-13-8-9-14(11-15(13)20)22-18(24)12-23(17-6-3-2-5-16(17)21)28(25,26)19-7-4-10-27-19/h2-11H,12H2,1H3,(H,22,24)
InChIKeyKNIUIPAFVWOBSF-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
methyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 30269413
N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43900835
methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 2206174
dimethyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 30270471
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278
ethyl 4-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 30304760
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 30270304
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30265197) is N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is KNIUIPAFVWOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S2/c1-13-8-9-14(11-15(13)20)22-18(24)12-23(17-6-3-2-5-16(17)21)28(25,26)19-7-4-10-27-19/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 438.93 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30265197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).