N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide

C22H26N4O5S2 — CID 56613543

IUPACN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccsc4C3=O)cc2)C1
InChIInChI=1S/C22H26N4O5S2/c1-14-2-5-17(12-14)24-21(28)25-33(30,31)18-6-3-15(4-7-18)8-10-23-22(29)26-13-16-9-11-32-19(16)20(26)27/h3-4,6-7,9,11,14,17H,2,5,8,10,12-13H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyIECGBFUEDFWTII-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.83
Rot. Bonds6

About N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide

N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide (PubChem CID 56613543) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide
PubChem CID56613543
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccsc4C3=O)cc2)C1
InChIInChI=1S/C22H26N4O5S2/c1-14-2-5-17(12-14)24-21(28)25-33(30,31)18-6-3-15(4-7-18)8-10-23-22(29)26-13-16-9-11-32-19(16)20(26)27/h3-4,6-7,9,11,14,17H,2,5,8,10,12-13H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyIECGBFUEDFWTII-UHFFFAOYSA-N
XLogP2.83
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 56638621
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
CID 21162344
methyl 4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexane-1-carboxylate
CID 176736344
[4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl]methyl N-cyclopropylcarbamate
CID 176736331
N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 21162325
4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide;4-methylcyclohexan-1-amine;methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate;triiodovanadium;hydroiodide
CID 161482197
N-[2-[4-(carbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 70578684
N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 176736322
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
CID 44565017
3-ethyl-N-[2-[4-[(4-ethylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-4-methyl-2,5-dihydropyrrole-1-carboxamide
CID 102056034
N-[2-[4-(cyclohexylsulfanylcarbamoylsulfamoyl)phenyl]ethyl]-4-methyl-2-oxopiperidine-1-carboxamide
CID 20504604

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide?
The IUPAC name of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide (CID 56613543) is N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide is CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccsc4C3=O)cc2)C1.
What is the InChIKey of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide?
The InChIKey is IECGBFUEDFWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-14-2-5-17(12-14)24-21(28)25-33(30,31)18-6-3-15(4-7-18)8-10-23-22(29)26-13-16-9-11-32-19(16)20(26)27/h3-4,6-7,9,11,14,17H,2,5,8,10,12-13H2,1H3,(H,23,29)(H2,24,25,28).
What are the key properties of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide?
N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide is sourced from PubChem (CID 56613543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).