dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate

C15H18N2O6S — CID 168570251

IUPACdimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC
InChIInChI=1S/C15H18N2O6S/c1-22-14(18)9-13(15(19)23-2)16-10-5-7-12(8-6-10)24(20,21)17-11-3-4-11/h5-9,11,16-17H,3-4H2,1-2H3/b13-9+
InChIKeyCOOFIPKBHHXHPE-UKTHLTGXSA-N
MW354.38 g/mol
LogP0.77
Rot. Bonds7

About dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate

dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate (PubChem CID 168570251) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate
PubChem CID168570251
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Namedimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC
InChIInChI=1S/C15H18N2O6S/c1-22-14(18)9-13(15(19)23-2)16-10-5-7-12(8-6-10)24(20,21)17-11-3-4-11/h5-9,11,16-17H,3-4H2,1-2H3/b13-9+
InChIKeyCOOFIPKBHHXHPE-UKTHLTGXSA-N
XLogP0.77
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]but-2-enedioate
CID 168570463
dimethyl (E)-2-[4-[di(propan-2-yl)sulfamoyl]anilino]but-2-enedioate
CID 168569517
dimethyl (E)-2-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168568435
dimethyl (E)-2-[4-(diaminomethylideneamino)sulfonylanilino]but-2-enedioate
CID 168565933
dimethyl (E)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168569316
dimethyl (E)-2-[4-[3-(cyclopropylamino)-3-oxopropyl]anilino]but-2-enedioate
CID 168566316
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
dimethyl (Z)-2-[4-(trifluoromethyl)anilino]but-2-enedioate
CID 51402174

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate (CID 168570251) is dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate is COC(=O)/C=C(/Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate?
The InChIKey is COOFIPKBHHXHPE-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-22-14(18)9-13(15(19)23-2)16-10-5-7-12(8-6-10)24(20,21)17-11-3-4-11/h5-9,11,16-17H,3-4H2,1-2H3/b13-9+.
What are the key properties of dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate?
dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate has a molecular weight of 354.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[4-(cyclopropylsulfamoyl)anilino]but-2-enedioate is sourced from PubChem (CID 168570251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).