2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide

C22H23N3O5S — CID 1107807

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23N3O5S/c1-16-6-8-18(9-7-16)25(15-22(26)24-17-5-4-12-23-14-17)31(27,28)19-10-11-20(29-2)21(13-19)30-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeySEUTUSVHLAHJLQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.24
Rot. Bonds8

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1107807) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide
PubChem CID1107807
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23N3O5S/c1-16-6-8-18(9-7-16)25(15-22(26)24-17-5-4-12-23-14-17)31(27,28)19-10-11-20(29-2)21(13-19)30-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeySEUTUSVHLAHJLQ-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

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
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
N-(pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722533
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472
3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 870239

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide (CID 1107807) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is SEUTUSVHLAHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-16-6-8-18(9-7-16)25(15-22(26)24-17-5-4-12-23-14-17)31(27,28)19-10-11-20(29-2)21(13-19)30-3/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-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-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1107807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).