methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate

C16H15NO4S2 — CID 17465245

IUPACmethyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H15NO4S2/c1-21-16(18)15-14(8-9-22-15)17-23(19,20)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10,17H,6-7H2,1H3
InChIKeyCZNBTNREMQPMKJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.26
Rot. Bonds4

About methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate

methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate (PubChem CID 17465245) has the molecular formula C16H15NO4S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
PubChem CID17465245
Molecular FormulaC16H15NO4S2
Molecular Weight349.43 g/mol
Exact Mass349.04
IUPAC Namemethyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H15NO4S2/c1-21-16(18)15-14(8-9-22-15)17-23(19,20)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10,17H,6-7H2,1H3
InChIKeyCZNBTNREMQPMKJ-UHFFFAOYSA-N
XLogP3.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
CID 46594227
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
CID 86868851
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
CID 2808375
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate (CID 17465245) is methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is CZNBTNREMQPMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S2/c1-21-16(18)15-14(8-9-22-15)17-23(19,20)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate?
methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 17465245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).