4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide

C24H34N4O4S — CID 55677164

IUPAC4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)n(C)c1
InChIInChI=1S/C24H34N4O4S/c1-6-28(7-2)33(31,32)19-13-22(26(5)16-19)23(29)25-21-11-9-8-10-20(21)24(30)27-14-17(3)12-18(4)15-27/h8-11,13,16-18H,6-7,12,14-15H2,1-5H3,(H,25,29)
InChIKeySLIHZGACFSAYQV-UHFFFAOYSA-N
MW474.63 g/mol
LogP3.43
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55677164) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55677164
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)n(C)c1
InChIInChI=1S/C24H34N4O4S/c1-6-28(7-2)33(31,32)19-13-22(26(5)16-19)23(29)25-21-11-9-8-10-20(21)24(30)27-14-17(3)12-18(4)15-27/h8-11,13,16-18H,6-7,12,14-15H2,1-5H3,(H,25,29)
InChIKeySLIHZGACFSAYQV-UHFFFAOYSA-N
XLogP3.43
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56555908
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 55677164) is 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CC(C)CC(C)C2)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is SLIHZGACFSAYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-6-28(7-2)33(31,32)19-13-22(26(5)16-19)23(29)25-21-11-9-8-10-20(21)24(30)27-14-17(3)12-18(4)15-27/h8-11,13,16-18H,6-7,12,14-15H2,1-5H3,(H,25,29).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55677164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).