2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H25N3O5S — CID 1076349

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-29-17-11-9-16(10-12-17)24(30(2,27)28)15-20(25)22-19-8-4-3-7-18(19)21(26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,22,25)
InChIKeyVZLBVVCBQIWYTI-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.34
Rot. Bonds7

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 1076349) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID1076349
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-29-17-11-9-16(10-12-17)24(30(2,27)28)15-20(25)22-19-8-4-3-7-18(19)21(26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,22,25)
InChIKeyVZLBVVCBQIWYTI-UHFFFAOYSA-N
XLogP2.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 1076349) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is VZLBVVCBQIWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-29-17-11-9-16(10-12-17)24(30(2,27)28)15-20(25)22-19-8-4-3-7-18(19)21(26)23-13-5-6-14-23/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 431.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1076349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).