4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

C20H22N2O5S3 — CID 21007549

IUPAC4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H22N2O5S3/c1-15(2)27-17-7-9-18(10-8-17)30(25,26)22-14-19(16-5-3-11-21-13-16)29(23,24)20-6-4-12-28-20/h3-13,15,19,22H,14H2,1-2H3
InChIKeyRKQVYQLGURKOPH-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.42
Rot. Bonds9

About 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (PubChem CID 21007549) has the molecular formula C20H22N2O5S3 and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
PubChem CID21007549
Molecular FormulaC20H22N2O5S3
Molecular Weight466.61 g/mol
Exact Mass466.07
IUPAC Name4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H22N2O5S3/c1-15(2)27-17-7-9-18(10-8-17)30(25,26)22-14-19(16-5-3-11-21-13-16)29(23,24)20-6-4-12-28-20/h3-13,15,19,22H,14H2,1-2H3
InChIKeyRKQVYQLGURKOPH-UHFFFAOYSA-N
XLogP3.42
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995693
4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 40903607
4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995702
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
CID 40903625
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
4-cyclopentyloxy-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662791
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (CID 21007549) is 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is RKQVYQLGURKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S3/c1-15(2)27-17-7-9-18(10-8-17)30(25,26)22-14-19(16-5-3-11-21-13-16)29(23,24)20-6-4-12-28-20/h3-13,15,19,22H,14H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 21007549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).