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

C28H30ClN3O4S5 — CID 21106699

IUPAC2-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
SMILESC[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3cccs3)s2)C1=O.Clc1ccc(-c2cccs2)s1
InChIInChI=1S/C20H25N3O4S3.C8H5ClS2/c1-14(19(24)22-10-3-2-4-11-22)23-12-9-15(20(23)25)21-30(26,27)18-8-7-17(29-18)16-6-5-13-28-16;9-8-4-3-7(11-8)6-2-1-5-10-6/h5-8,13-15,21H,2-4,9-12H2,1H3;1-5H/t14-,15-;/m0./s1
InChIKeyITIUCCBXGAWLCQ-YYLIZZNMSA-N
MW668.35 g/mol
LogP6.89
Rot. Bonds7

About 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

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 (PubChem CID 21106699) has the molecular formula C28H30ClN3O4S5 and a molecular weight of 668.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID21106699
Molecular FormulaC28H30ClN3O4S5
Molecular Weight668.35 g/mol
Exact Mass667.05
IUPAC Name2-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
SMILESC[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3cccs3)s2)C1=O.Clc1ccc(-c2cccs2)s1
InChIInChI=1S/C20H25N3O4S3.C8H5ClS2/c1-14(19(24)22-10-3-2-4-11-22)23-12-9-15(20(23)25)21-30(26,27)18-8-7-17(29-18)16-6-5-13-28-16;9-8-4-3-7(11-8)6-2-1-5-10-6/h5-8,13-15,21H,2-4,9-12H2,1H3;1-5H/t14-,15-;/m0./s1
InChIKeyITIUCCBXGAWLCQ-YYLIZZNMSA-N
XLogP6.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.35
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3cccs3)s2)C1=O.Clc1ccc(-c2cccs2)s1.
What is the InChIKey of 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?
The InChIKey is ITIUCCBXGAWLCQ-YYLIZZNMSA-N. The full InChI is InChI=1S/C20H25N3O4S3.C8H5ClS2/c1-14(19(24)22-10-3-2-4-11-22)23-12-9-15(20(23)25)21-30(26,27)18-8-7-17(29-18)16-6-5-13-28-16;9-8-4-3-7(11-8)6-2-1-5-10-6/h5-8,13-15,21H,2-4,9-12H2,1H3;1-5H/t14-,15-;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 668.35 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21106699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).