2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C22H23N3O5S — CID 1143318

IUPAC2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H23N3O5S/c1-16-6-9-19(10-7-16)31(27,28)25(15-22(26)24-17-5-4-12-23-14-17)20-13-18(29-2)8-11-21(20)30-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyRMVRLZXTBOFUKS-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.24
Rot. Bonds8

About 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1143318) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1143318
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H23N3O5S/c1-16-6-9-19(10-7-16)31(27,28)25(15-22(26)24-17-5-4-12-23-14-17)20-13-18(29-2)8-11-21(20)30-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyRMVRLZXTBOFUKS-UHFFFAOYSA-N
XLogP3.24
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-pyridin-3-yl-acetamide
CID 1145331
2-((2-Methoxy-benzenesulfonyl)-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-amino)-acetamide
CID 44274987
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-{2,5-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(pyridin-4-ylmethyl)acetamide
CID 1000896
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
Cambridge id 6392977
CID 1137097
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-(4-pyridin-4-ylmethyl-phenyl)-acetamide
CID 1166448
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-4-methylbenzenesulfonamide
CID 3241270
N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307299
N-(3,4-dimethoxyphenyl)-4-methyl-N-{2-oxo-2-[2-(3-pyridinylmethylene)hydrazino]ethyl}benzenesulfonamide
CID 6876718
4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117856

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1143318) is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is RMVRLZXTBOFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-16-6-9-19(10-7-16)31(27,28)25(15-22(26)24-17-5-4-12-23-14-17)20-13-18(29-2)8-11-21(20)30-3/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 441.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1143318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).