2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C21H21N3O5S — CID 1076359

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1
InChIInChI=1S/C21H21N3O5S/c1-28-17-9-11-18(12-10-17)30(26,27)24(19-7-3-4-8-20(19)29-2)15-21(25)23-16-6-5-13-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyRGEKIVWPLWSVCK-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.93
Rot. Bonds8

About 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1076359) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1076359
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1
InChIInChI=1S/C21H21N3O5S/c1-28-17-9-11-18(12-10-17)30(26,27)24(19-7-3-4-8-20(19)29-2)15-21(25)23-16-6-5-13-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyRGEKIVWPLWSVCK-UHFFFAOYSA-N
XLogP2.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
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-[(2,5-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1143318
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-pyridin-3-yl-acetamide
CID 1145331
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1076359) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is RGEKIVWPLWSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-28-17-9-11-18(12-10-17)30(26,27)24(19-7-3-4-8-20(19)29-2)15-21(25)23-16-6-5-13-22-14-16/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 427.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1076359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).