methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate

C17H18N2O5S2 — CID 18148549

IUPACmethyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O5S2/c1-24-17(21)16-14(8-10-25-16)26(22,23)18-11-12-4-6-13(7-5-12)19-9-2-3-15(19)20/h4-8,10,18H,2-3,9,11H2,1H3
InChIKeyUJZFLCKMXGGHBV-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.14
Rot. Bonds6

About methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 18148549) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
PubChem CID18148549
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC Namemethyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O5S2/c1-24-17(21)16-14(8-10-25-16)26(22,23)18-11-12-4-6-13(7-5-12)19-9-2-3-15(19)20/h4-8,10,18H,2-3,9,11H2,1H3
InChIKeyUJZFLCKMXGGHBV-UHFFFAOYSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 35393983
methyl 3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90554156
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
2-methyl-5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 26540010
4-(2-methoxyethoxy)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 55639292
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
methyl 3-[(1-pyridin-4-ylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 121108182
1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
CID 81121521
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate (CID 18148549) is methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is UJZFLCKMXGGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-24-17(21)16-14(8-10-25-16)26(22,23)18-11-12-4-6-13(7-5-12)19-9-2-3-15(19)20/h4-8,10,18H,2-3,9,11H2,1H3.
What are the key properties of methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).