2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide

C20H36N4O5S2 — CID 20927507

IUPAC2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(CC(=O)NC2CCCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H36N4O5S2/c1-19(2,3)22-30(26,27)16-12-24(13-17(16)31(28,29)23-20(4,5)6)14-18(25)21-15-10-8-7-9-11-15/h12-13,15,22-23H,7-11,14H2,1-6H3,(H,21,25)
InChIKeyMNRMONQYUZIQMU-UHFFFAOYSA-N
MW476.67 g/mol
LogP2.09
Rot. Bonds7

About 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide

2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide (PubChem CID 20927507) has the molecular formula C20H36N4O5S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
PubChem CID20927507
Molecular FormulaC20H36N4O5S2
Molecular Weight476.67 g/mol
Exact Mass476.21
IUPAC Name2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(CC(=O)NC2CCCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H36N4O5S2/c1-19(2,3)22-30(26,27)16-12-24(13-17(16)31(28,29)23-20(4,5)6)14-18(25)21-15-10-8-7-9-11-15/h12-13,15,22-23H,7-11,14H2,1-6H3,(H,21,25)
InChIKeyMNRMONQYUZIQMU-UHFFFAOYSA-N
XLogP2.09
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
CID 83209831
N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
CID 83206156
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 103961997
4-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 18106170
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350854
N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
CID 154787984
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide (CID 20927507) is 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide is CC(C)(C)NS(=O)(=O)c1cn(CC(=O)NC2CCCCC2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide?
The InChIKey is MNRMONQYUZIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O5S2/c1-19(2,3)22-30(26,27)16-12-24(13-17(16)31(28,29)23-20(4,5)6)14-18(25)21-15-10-8-7-9-11-15/h12-13,15,22-23H,7-11,14H2,1-6H3,(H,21,25).
What are the key properties of 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide?
2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide has a molecular weight of 476.67 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 20927507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).