2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide

C21H26N4O5S — CID 3214291

IUPAC2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
SMILESC=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1cccnc1
InChIInChI=1S/C21H26N4O5S/c1-3-13-25(19(26)16-24-31(28,29)18-9-5-4-6-10-18)20(17-8-7-11-22-15-17)21(27)23-12-14-30-2/h3-11,15,20,24H,1,12-14,16H2,2H3,(H,23,27)
InChIKeySKQQUBWIIURKRB-UHFFFAOYSA-N
MW446.53 g/mol
LogP0.88
Rot. Bonds12

About 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide

2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide (PubChem CID 3214291) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
PubChem CID3214291
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
SMILESC=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1cccnc1
InChIInChI=1S/C21H26N4O5S/c1-3-13-25(19(26)16-24-31(28,29)18-9-5-4-6-10-18)20(17-8-7-11-22-15-17)21(27)23-12-14-30-2/h3-11,15,20,24H,1,12-14,16H2,2H3,(H,23,27)
InChIKeySKQQUBWIIURKRB-UHFFFAOYSA-N
XLogP0.88
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
(2S)-1-[(4-fluorophenyl)methylsulfonyl]-N-[(2S)-4-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide
CID 169192439
2-Acetylamino-N-[1-(4-acetylamino-benzenesulfonyl)-piperidin-4-yl]-3-(1-methyl-1H-pyrrol-2-yl)-propionamide
CID 644800
2-[Allyl-(2-benzenesulfonylamino-acetyl)-amino]-N-(2-methoxy-ethyl)-2-pyridin-4-yl-acetamide
CID 645212
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-4-ylmethyl-acetamide
CID 770945
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 1006973
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(3-pyridinylmethyl)propanamide
CID 1211089
Cambridge id 7171821
CID 1312346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide (CID 3214291) is 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide is C=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1cccnc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide?
The InChIKey is SKQQUBWIIURKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-3-13-25(19(26)16-24-31(28,29)18-9-5-4-6-10-18)20(17-8-7-11-22-15-17)21(27)23-12-14-30-2/h3-11,15,20,24H,1,12-14,16H2,2H3,(H,23,27).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide?
2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide has a molecular weight of 446.53 g/mol, XLogP of 0.88, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 3214291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).