4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide

C18H26N4O5S2 — CID 55984075

IUPAC4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)n(C)c1
InChIInChI=1S/C18H26N4O5S2/c1-6-22(7-2)28(24,25)14-12-16(21(5)13-14)18(23)19-15-10-8-9-11-17(15)29(26,27)20(3)4/h8-13H,6-7H2,1-5H3,(H,19,23)
InChIKeyMRRPTKVMKRUVRU-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.56
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55984075) has the molecular formula C18H26N4O5S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55984075
Molecular FormulaC18H26N4O5S2
Molecular Weight442.56 g/mol
Exact Mass442.13
IUPAC Name4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)n(C)c1
InChIInChI=1S/C18H26N4O5S2/c1-6-22(7-2)28(24,25)14-12-16(21(5)13-14)18(23)19-15-10-8-9-11-17(15)29(26,27)20(3)4/h8-13H,6-7H2,1-5H3,(H,19,23)
InChIKeyMRRPTKVMKRUVRU-UHFFFAOYSA-N
XLogP1.56
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55677164
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 55984075) is 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MRRPTKVMKRUVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S2/c1-6-22(7-2)28(24,25)14-12-16(21(5)13-14)18(23)19-15-10-8-9-11-17(15)29(26,27)20(3)4/h8-13H,6-7H2,1-5H3,(H,19,23).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55984075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).