N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide

C16H22N4O5S2 — CID 20921844

IUPACN-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC
InChIInChI=1S/C16H22N4O5S2/c1-17-26(22,23)14-10-20(11-15(14)27(24,25)18-2)12-16(21)19(3)9-13-7-5-4-6-8-13/h4-8,10-11,17-18H,9,12H2,1-3H3
InChIKeyNGNCYZUWZABZKW-UHFFFAOYSA-N
MW414.51 g/mol
LogP-0.04
Rot. Bonds8

About N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide

N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide (PubChem CID 20921844) has the molecular formula C16H22N4O5S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide
PubChem CID20921844
Molecular FormulaC16H22N4O5S2
Molecular Weight414.51 g/mol
Exact Mass414.10
IUPAC NameN-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC
InChIInChI=1S/C16H22N4O5S2/c1-17-26(22,23)14-10-20(11-15(14)27(24,25)18-2)12-16(21)19(3)9-13-7-5-4-6-8-13/h4-8,10-11,17-18H,9,12H2,1-3H3
InChIKeyNGNCYZUWZABZKW-UHFFFAOYSA-N
XLogP-0.04
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide
CID 20921912
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfonylacetic acid
CID 82180460
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
CID 112992445
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide (CID 20921844) is N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide is CNS(=O)(=O)c1cn(CC(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC.
What is the InChIKey of N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide?
The InChIKey is NGNCYZUWZABZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S2/c1-17-26(22,23)14-10-20(11-15(14)27(24,25)18-2)12-16(21)19(3)9-13-7-5-4-6-8-13/h4-8,10-11,17-18H,9,12H2,1-3H3.
What are the key properties of N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide?
N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide has a molecular weight of 414.51 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide is sourced from PubChem (CID 20921844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).