2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C22H23N3O4S2 — CID 2279207

IUPAC2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-10-12-20(13-11-19)31(27,28)25(18-7-3-2-4-8-18)17-21(26)23-15-16-30-22-9-5-6-14-24-22/h2-14H,15-17H2,1H3,(H,23,26)
InChIKeyINFKTOSKXSUDSU-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.19
Rot. Bonds10

About 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2279207) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2279207
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-10-12-20(13-11-19)31(27,28)25(18-7-3-2-4-8-18)17-21(26)23-15-16-30-22-9-5-6-14-24-22/h2-14H,15-17H2,1H3,(H,23,26)
InChIKeyINFKTOSKXSUDSU-UHFFFAOYSA-N
XLogP3.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-carbamoyl]-methyl}-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide
CID 10054852
4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesulfonyl)-{[(pyridin-3-ylmethyl)-carbamoyl]-methyl}-amino)-butyramide
CID 10231253
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 651842
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1072969
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[(4-Chloro-phenyl)-(4-methoxy-benzenesulfonyl)-amino]-N-pyridin-2-ylmethyl-acetamide
CID 1085400
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267231

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2279207) is 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is INFKTOSKXSUDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-19-10-12-20(13-11-19)31(27,28)25(18-7-3-2-4-8-18)17-21(26)23-15-16-30-22-9-5-6-14-24-22/h2-14H,15-17H2,1H3,(H,23,26).
What are the key properties of 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2279207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).