methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

C16H18N2O6S2 — CID 8842336

IUPACmethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C
InChIInChI=1S/C16H18N2O6S2/c1-9-7-14(25-15(9)16(20)24-4)18-26(21,22)11-5-6-12(17-10(2)19)13(8-11)23-3/h5-8,18H,1-4H3,(H,17,19)
InChIKeyXASZTRHGXALOEK-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.61
Rot. Bonds6

About methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (PubChem CID 8842336) has the molecular formula C16H18N2O6S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
PubChem CID8842336
Molecular FormulaC16H18N2O6S2
Molecular Weight398.46 g/mol
Exact Mass398.06
IUPAC Namemethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C
InChIInChI=1S/C16H18N2O6S2/c1-9-7-14(25-15(9)16(20)24-4)18-26(21,22)11-5-6-12(17-10(2)19)13(8-11)23-3/h5-8,18H,1-4H3,(H,17,19)
InChIKeyXASZTRHGXALOEK-UHFFFAOYSA-N
XLogP2.61
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515211
methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 8842307
3-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 2441956
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 8842276
N-[2-methoxy-4-[(3-methylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 8842812
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (CID 8842336) is methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C.
What is the InChIKey of methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is XASZTRHGXALOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S2/c1-9-7-14(25-15(9)16(20)24-4)18-26(21,22)11-5-6-12(17-10(2)19)13(8-11)23-3/h5-8,18H,1-4H3,(H,17,19).
What are the key properties of methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 8842336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).