2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide

C17H19ClN4O3S2 — CID 57144430

IUPAC2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide
SMILESNS(=O)(=O)C(=Cc1ccc(Cl)s1)C1CCN(CCNc2ccncc2)C1=O
InChIInChI=1S/C17H19ClN4O3S2/c18-16-2-1-13(26-16)11-15(27(19,24)25)14-5-9-22(17(14)23)10-8-21-12-3-6-20-7-4-12/h1-4,6-7,11,14H,5,8-10H2,(H,20,21)(H2,19,24,25)
InChIKeyGUWUTFPIXHSOKD-UHFFFAOYSA-N
MW426.95 g/mol
LogP2.39
Rot. Bonds7

About 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide

2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide (PubChem CID 57144430) has the molecular formula C17H19ClN4O3S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide
PubChem CID57144430
Molecular FormulaC17H19ClN4O3S2
Molecular Weight426.95 g/mol
Exact Mass426.06
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide
SMILESNS(=O)(=O)C(=Cc1ccc(Cl)s1)C1CCN(CCNc2ccncc2)C1=O
InChIInChI=1S/C17H19ClN4O3S2/c18-16-2-1-13(26-16)11-15(27(19,24)25)14-5-9-22(17(14)23)10-8-21-12-3-6-20-7-4-12/h1-4,6-7,11,14H,5,8-10H2,(H,20,21)(H2,19,24,25)
InChIKeyGUWUTFPIXHSOKD-UHFFFAOYSA-N
XLogP2.39
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide
CID 54186956
4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one
CID 67109382
5-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714851
4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-[2-[(2,3,5,6-tetrachloro-4-pyridinyl)amino]ethyl]piperazin-2-one
CID 173130608
2-[[3-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 70071160
4-[(E)-2-(1-benzothiophen-2-yl)ethenyl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one
CID 69027309
N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 91081299
N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 59056663
4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-(2-pyrrolo[3,2-c]pyridin-1-ylethyl)piperazin-2-one
CID 69026484
2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068105
N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 59056865
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide (CID 57144430) is 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide is NS(=O)(=O)C(=Cc1ccc(Cl)s1)C1CCN(CCNc2ccncc2)C1=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is GUWUTFPIXHSOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S2/c18-16-2-1-13(26-16)11-15(27(19,24)25)14-5-9-22(17(14)23)10-8-21-12-3-6-20-7-4-12/h1-4,6-7,11,14H,5,8-10H2,(H,20,21)(H2,19,24,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide?
2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 426.95 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 57144430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).