methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate

C18H23N3O5S — CID 17411877

IUPACmethyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)n(C)c1
InChIInChI=1S/C18H23N3O5S/c1-5-21(6-2)27(24,25)15-11-16(20(3)12-15)17(22)19-14-9-7-13(8-10-14)18(23)26-4/h7-12H,5-6H2,1-4H3,(H,19,22)
InChIKeyGXIKVEAQMQDXEJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.09
Rot. Bonds7

About methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate

methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate (PubChem CID 17411877) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
PubChem CID17411877
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Namemethyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)n(C)c1
InChIInChI=1S/C18H23N3O5S/c1-5-21(6-2)27(24,25)15-11-16(20(3)12-15)17(22)19-14-9-7-13(8-10-14)18(23)26-4/h7-12H,5-6H2,1-4H3,(H,19,22)
InChIKeyGXIKVEAQMQDXEJ-UHFFFAOYSA-N
XLogP2.09
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56555908
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
CID 46441254
4-(diethylsulfamoyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 17481631
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate (CID 17411877) is methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)n(C)c1.
What is the InChIKey of methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate?
The InChIKey is GXIKVEAQMQDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-5-21(6-2)27(24,25)15-11-16(20(3)12-15)17(22)19-14-9-7-13(8-10-14)18(23)26-4/h7-12H,5-6H2,1-4H3,(H,19,22).
What are the key properties of methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate?
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate has a molecular weight of 393.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 17411877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).