4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

C19H20N2O5S3 — CID 20995702

IUPAC4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C19H20N2O5S3/c1-14-11-16(7-8-17(14)26-2)29(24,25)21-13-18(15-5-3-9-20-12-15)28(22,23)19-6-4-10-27-19/h3-12,18,21H,13H2,1-2H3
InChIKeyFTELCRLNVIOYMP-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.95
Rot. Bonds8

About 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (PubChem CID 20995702) has the molecular formula C19H20N2O5S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
PubChem CID20995702
Molecular FormulaC19H20N2O5S3
Molecular Weight452.58 g/mol
Exact Mass452.05
IUPAC Name4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C19H20N2O5S3/c1-14-11-16(7-8-17(14)26-2)29(24,25)21-13-18(15-5-3-9-20-12-15)28(22,23)19-6-4-10-27-19/h3-12,18,21H,13H2,1-2H3
InChIKeyFTELCRLNVIOYMP-UHFFFAOYSA-N
XLogP2.95
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.95
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-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
CID 40903625
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 40903729
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (CID 20995702) is 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2cccnc2)S(=O)(=O)c2cccs2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is FTELCRLNVIOYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S3/c1-14-11-16(7-8-17(14)26-2)29(24,25)21-13-18(15-5-3-9-20-12-15)28(22,23)19-6-4-10-27-19/h3-12,18,21H,13H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 20995702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).