N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide

C22H26N4O5S2 — CID 55814844

IUPACN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H26N4O5S2/c27-19(24-11-13-26(14-12-24)22(29)21(28)25-9-1-2-10-25)16-17-5-7-18(8-6-17)23-33(30,31)20-4-3-15-32-20/h3-8,15,23H,1-2,9-14,16H2
InChIKeyXFIJXJSMUOXZBC-UHFFFAOYSA-N
MW490.61 g/mol
LogP1.38
Rot. Bonds5

About N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide

N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide (PubChem CID 55814844) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
PubChem CID55814844
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H26N4O5S2/c27-19(24-11-13-26(14-12-24)22(29)21(28)25-9-1-2-10-25)16-17-5-7-18(8-6-17)23-33(30,31)20-4-3-15-32-20/h3-8,15,23H,1-2,9-14,16H2
InChIKeyXFIJXJSMUOXZBC-UHFFFAOYSA-N
XLogP1.38
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide
CID 78851118
N-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]thiophene-2-sulfonamide
CID 119634459
N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120571168
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 26868722
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(2-methylcyclohexyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 42951526
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 56569161
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide (CID 55814844) is N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is XFIJXJSMUOXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c27-19(24-11-13-26(14-12-24)22(29)21(28)25-9-1-2-10-25)16-17-5-7-18(8-6-17)23-33(30,31)20-4-3-15-32-20/h3-8,15,23H,1-2,9-14,16H2.
What are the key properties of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide?
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 490.61 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55814844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).