2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H24ClN3O5S — CID 1076323

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-10-9-15(22)13-18(19)25(31(2,28)29)14-20(26)23-17-8-4-3-7-16(17)21(27)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,26)
InChIKeyDMGVGGZDTCYDMW-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.99
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 1076323) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID1076323
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-10-9-15(22)13-18(19)25(31(2,28)29)14-20(26)23-17-8-4-3-7-16(17)21(27)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,26)
InChIKeyDMGVGGZDTCYDMW-UHFFFAOYSA-N
XLogP2.99
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 1076323) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is DMGVGGZDTCYDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-30-19-10-9-15(22)13-18(19)25(31(2,28)29)14-20(26)23-17-8-4-3-7-16(17)21(27)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 465.96 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).