2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C17H21N3O4S2 — CID 3144121

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S2/c1-24-15-7-5-6-14(12-15)20(26(2,22)23)13-16(21)18-10-11-25-17-8-3-4-9-19-17/h3-9,12H,10-11,13H2,1-2H3,(H,18,21)
InChIKeyRBZCLZQWJYGBBA-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.76
Rot. Bonds9

About 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 3144121) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID3144121
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S2/c1-24-15-7-5-6-14(12-15)20(26(2,22)23)13-16(21)18-10-11-25-17-8-3-4-9-19-17/h3-9,12H,10-11,13H2,1-2H3,(H,18,21)
InChIKeyRBZCLZQWJYGBBA-UHFFFAOYSA-N
XLogP1.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide 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

N-(4-methoxy-2-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2839113
N-(1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl)pyridine-3-sulfonamide
CID 16822419
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-pyridin-3-yl-acetamide
CID 1145331
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
Cambridge id 6392977
CID 1137097
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267231
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 2341783
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 5252965

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 3144121) is 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is COc1cccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is RBZCLZQWJYGBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-24-15-7-5-6-14(12-15)20(26(2,22)23)13-16(21)18-10-11-25-17-8-3-4-9-19-17/h3-9,12H,10-11,13H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 3144121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).