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

C14H18N4O5S2 — CID 20921912

IUPAC2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2ccccc2)cc1S(=O)(=O)NC
InChIInChI=1S/C14H18N4O5S2/c1-15-24(20,21)12-8-18(9-13(12)25(22,23)16-2)10-14(19)17-11-6-4-3-5-7-11/h3-9,15-16H,10H2,1-2H3,(H,17,19)
InChIKeyGLTBRULEFUYZDD-UHFFFAOYSA-N
MW386.46 g/mol
LogP-0.06
Rot. Bonds7

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

2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide (PubChem CID 20921912) has the molecular formula C14H18N4O5S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide
PubChem CID20921912
Molecular FormulaC14H18N4O5S2
Molecular Weight386.46 g/mol
Exact Mass386.07
IUPAC Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2ccccc2)cc1S(=O)(=O)NC
InChIInChI=1S/C14H18N4O5S2/c1-15-24(20,21)12-8-18(9-13(12)25(22,23)16-2)10-14(19)17-11-6-4-3-5-7-11/h3-9,15-16H,10H2,1-2H3,(H,17,19)
InChIKeyGLTBRULEFUYZDD-UHFFFAOYSA-N
XLogP-0.06
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-methylacetamide
CID 20921844
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-phenylacetamide
CID 26536516
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20927515
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24646802
(2-anilino-2-oxoethyl)-(carboxymethyl)-dimethylazanium
CID 12595348
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
N-[3-chloro-4-(methylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 21435947
2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
CID 166474091
3-oxo-N-phenylbutanamide
CID 161275903
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide (CID 20921912) is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide is CNS(=O)(=O)c1cn(CC(=O)Nc2ccccc2)cc1S(=O)(=O)NC.
What is the InChIKey of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide?
The InChIKey is GLTBRULEFUYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S2/c1-15-24(20,21)12-8-18(9-13(12)25(22,23)16-2)10-14(19)17-11-6-4-3-5-7-11/h3-9,15-16H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide?
2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide has a molecular weight of 386.46 g/mol, XLogP of -0.06, 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(methylsulfamoyl)pyrrol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 20921912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).