dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C19H23NO6S2 — CID 2142678

IUPACdimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCCCCc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C19H23NO6S2/c1-5-6-7-13-8-10-14(11-9-13)20-28(23,24)19-15(17(21)25-3)12(2)16(27-19)18(22)26-4/h8-11,20H,5-7H2,1-4H3
InChIKeyNFWDHXXUXJXSAM-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.77
Rot. Bonds8

About dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 2142678) has the molecular formula C19H23NO6S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID2142678
Molecular FormulaC19H23NO6S2
Molecular Weight425.53 g/mol
Exact Mass425.10
IUPAC Namedimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCCCCc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C19H23NO6S2/c1-5-6-7-13-8-10-14(11-9-13)20-28(23,24)19-15(17(21)25-3)12(2)16(27-19)18(22)26-4/h8-11,20H,5-7H2,1-4H3
InChIKeyNFWDHXXUXJXSAM-UHFFFAOYSA-N
XLogP3.77
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2943684
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
4-(Thiophene-2-sulfonylamino)-benzoic acid propyl ester
CID 646875
Dimethyl 5-[(benzylamino)sulfonyl]-3-methyl-2,4-thiophenedicarboxylate
CID 1186218
Methyl 3-[(4-ethylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 16026517
Ethyl 3-[(4-ethylphenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16034548
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
Ethyl 3-[(2-fluorophenyl)sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 16026539
Dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
CID 1051349
Dimethyl 5-{[(4-bromophenyl)amino]sulfonyl}-3-methyl-2,4-thiophenedicarboxylate
CID 1190523
Methyl 4-phenyl-3-(phenylsulfamoyl)thiophene-2-carboxylate
CID 16034546
C16H14F3NO6S2
CID 1190482

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 2142678) is dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is CCCCc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1.
What is the InChIKey of dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is NFWDHXXUXJXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S2/c1-5-6-7-13-8-10-14(11-9-13)20-28(23,24)19-15(17(21)25-3)12(2)16(27-19)18(22)26-4/h8-11,20H,5-7H2,1-4H3.
What are the key properties of dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 2142678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).