4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

C21H30N4O3S — CID 56555908

IUPAC4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)n(C)c1
InChIInChI=1S/C21H30N4O3S/c1-5-25(6-2)29(27,28)19-13-20(23(4)15-19)21(26)22-17-7-9-18(10-8-17)24-12-11-16(3)14-24/h7-10,13,15-16H,5-6,11-12,14H2,1-4H3,(H,22,26)
InChIKeyQXUHCVLBPQEXSM-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.15
Rot. Bonds7

About 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (PubChem CID 56555908) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
PubChem CID56555908
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)n(C)c1
InChIInChI=1S/C21H30N4O3S/c1-5-25(6-2)29(27,28)19-13-20(23(4)15-19)21(26)22-17-7-9-18(10-8-17)24-12-11-16(3)14-24/h7-10,13,15-16H,5-6,11-12,14H2,1-4H3,(H,22,26)
InChIKeyQXUHCVLBPQEXSM-UHFFFAOYSA-N
XLogP3.15
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556219
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55677164
4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56556366
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
4-(diethylsulfamoyl)-1-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrole-2-carboxamide
CID 46441254
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
CID 53087280
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46648352
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (CID 56555908) is 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The InChIKey is QXUHCVLBPQEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-5-25(6-2)29(27,28)19-13-20(23(4)15-19)21(26)22-17-7-9-18(10-8-17)24-12-11-16(3)14-24/h7-10,13,15-16H,5-6,11-12,14H2,1-4H3,(H,22,26).
What are the key properties of 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 56555908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).