N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide

C18H15FN2O3S2 — CID 55914376

IUPACN-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(F)c1
InChIInChI=1S/C18H15FN2O3S2/c1-12-7-8-16(15(19)10-12)20-18(22)13-4-2-5-14(11-13)21-26(23,24)17-6-3-9-25-17/h2-11,21H,1H3,(H,20,22)
InChIKeyLNMIXVOSIQOHKZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.25
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55914376) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55914376
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(F)c1
InChIInChI=1S/C18H15FN2O3S2/c1-12-7-8-16(15(19)10-12)20-18(22)13-4-2-5-14(11-13)21-26(23,24)17-6-3-9-25-17/h2-11,21H,1H3,(H,20,22)
InChIKeyLNMIXVOSIQOHKZ-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55989925
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
CID 56571363
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55914376) is N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is LNMIXVOSIQOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-12-7-8-16(15(19)10-12)20-18(22)13-4-2-5-14(11-13)21-26(23,24)17-6-3-9-25-17/h2-11,21H,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55914376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).