methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate

C16H18FNO4S2 — CID 18148535

IUPACmethyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H18FNO4S2/c1-10(2)14(11-4-6-12(17)7-5-11)18-24(20,21)13-8-9-23-15(13)16(19)22-3/h4-10,14,18H,1-3H3
InChIKeyUFNWJYBJCPTFJK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.35
Rot. Bonds6

About methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 18148535) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID18148535
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC Namemethyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H18FNO4S2/c1-10(2)14(11-4-6-12(17)7-5-11)18-24(20,21)13-8-9-23-15(13)16(19)22-3/h4-10,14,18H,1-3H3
InChIKeyUFNWJYBJCPTFJK-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 5-[(benzylamino)sulfonyl]-3-methyl-2,4-thiophenedicarboxylate
CID 1186218
methyl 4-[(E)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 5771783
Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730
Ethyl 3-{[(4-fluorobenzyl)amino]sulfonyl}-1-benzothiophene-2-carboxylate
CID 16026512
Methyl 4-fluoro-3-[(1-phenylethyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16026520
methyl 4-[(E,1R)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 44592830
Methyl 4-[4-(1-phenylethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2811382
Methyl 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831982
Methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832127
Methyl 4-fluoro-3-{[(2-thienylmethyl)amino]sulfonyl}-1-benzothiophene-2-carboxylate
CID 16956765
Methyl 3-[(2-fluoro-5-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 17409072
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 17545389

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate (CID 18148535) is methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is UFNWJYBJCPTFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-10(2)14(11-4-6-12(17)7-5-11)18-24(20,21)13-8-9-23-15(13)16(19)22-3/h4-10,14,18H,1-3H3.
What are the key properties of methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-fluorophenyl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).