3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C20H19FN2O3S2 — CID 18117406

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccsc3)c2)cc1F
InChIInChI=1S/C20H19FN2O3S2/c1-14-6-7-18(11-19(14)21)28(25,26)22-17-5-3-4-16(10-17)20(24)23(2)12-15-8-9-27-13-15/h3-11,13,22H,12H2,1-2H3
InChIKeyFDGIVBNSDPPZGJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.27
Rot. Bonds6

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117406) has the molecular formula C20H19FN2O3S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117406
Molecular FormulaC20H19FN2O3S2
Molecular Weight418.52 g/mol
Exact Mass418.08
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccsc3)c2)cc1F
InChIInChI=1S/C20H19FN2O3S2/c1-14-6-7-18(11-19(14)21)28(25,26)22-17-5-3-4-16(10-17)20(24)23(2)12-15-8-9-27-13-15/h3-11,13,22H,12H2,1-2H3
InChIKeyFDGIVBNSDPPZGJ-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 60579589
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 26560876
N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117252
N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55370274
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 18117406) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccsc3)c2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is FDGIVBNSDPPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S2/c1-14-6-7-18(11-19(14)21)28(25,26)22-17-5-3-4-16(10-17)20(24)23(2)12-15-8-9-27-13-15/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).