methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate

C16H20N2O4S2 — CID 3761777

IUPACmethyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c1-18(13-7-4-3-5-8-13)11-6-10-17-24(20,21)14-9-12-23-15(14)16(19)22-2/h3-5,7-9,12,17H,6,10-11H2,1-2H3
InChIKeyDZDPZNACMSHPFV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.34
Rot. Bonds8

About methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate

methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate (PubChem CID 3761777) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
PubChem CID3761777
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Namemethyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c1-18(13-7-4-3-5-8-13)11-6-10-17-24(20,21)14-9-12-23-15(14)16(19)22-2/h3-5,7-9,12,17H,6,10-11H2,1-2H3
InChIKeyDZDPZNACMSHPFV-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
methyl 3-[3-[4-(dimethylamino)phenyl]prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90554392
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate (CID 3761777) is methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is DZDPZNACMSHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-18(13-7-4-3-5-8-13)11-6-10-17-24(20,21)14-9-12-23-15(14)16(19)22-2/h3-5,7-9,12,17H,6,10-11H2,1-2H3.
What are the key properties of methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3761777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).