N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

C21H26N4O4S2 — CID 91166247

IUPACN-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)s2)C1=O
InChIInChI=1S/C21H26N4O4S2/c1-15(20(26)24-12-5-2-6-13-24)25-14-10-17(21(25)27)23-31(28,29)19-9-8-18(30-19)16-7-3-4-11-22-16/h3-4,7-9,11,15,17,23H,2,5-6,10,12-14H2,1H3/t15-,17?/m0/s1
InChIKeyABZRTICXYQCMSX-MYJWUSKBSA-N
MW462.60 g/mol
LogP2.09
Rot. Bonds6

About N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 91166247) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID91166247
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC NameN-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)s2)C1=O
InChIInChI=1S/C21H26N4O4S2/c1-15(20(26)24-12-5-2-6-13-24)25-14-10-17(21(25)27)23-31(28,29)19-9-8-18(30-19)16-7-3-4-11-22-16/h3-4,7-9,11,15,17,23H,2,5-6,10,12-14H2,1H3/t15-,17?/m0/s1
InChIKeyABZRTICXYQCMSX-MYJWUSKBSA-N
XLogP2.09
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91567209
2-chloro-5-thiophen-2-ylthiophene;N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-thiophen-2-ylthiophene-2-sulfonamide
CID 21106699
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929
[(3S)-1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]piperidin-3-yl]carbamic acid
CID 69329692
6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)propan-2-yl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69330798
1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
CID 69331514
N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
CID 69066892
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 91166247) is N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is C[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccccn3)s2)C1=O.
What is the InChIKey of N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is ABZRTICXYQCMSX-MYJWUSKBSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-15(20(26)24-12-5-2-6-13-24)25-14-10-17(21(25)27)23-31(28,29)19-9-8-18(30-19)16-7-3-4-11-22-16/h3-4,7-9,11,15,17,23H,2,5-6,10,12-14H2,1H3/t15-,17?/m0/s1.
What are the key properties of N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 462.60 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 91166247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).