N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide

C19H22FN3O3S — CID 1292272

IUPACN-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-15-4-10-18(11-5-15)23(27(25,26)22-12-2-3-13-22)14-19(24)21-17-8-6-16(20)7-9-17/h4-11H,2-3,12-14H2,1H3,(H,21,24)
InChIKeyQJUGDIJPXMZUJD-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.92
Rot. Bonds6

About N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide

N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 1292272) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID1292272
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-15-4-10-18(11-5-15)23(27(25,26)22-12-2-3-13-22)14-19(24)21-17-8-6-16(20)7-9-17/h4-11H,2-3,12-14H2,1H3,(H,21,24)
InChIKeyQJUGDIJPXMZUJD-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 1292272) is N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is QJUGDIJPXMZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-15-4-10-18(11-5-15)23(27(25,26)22-12-2-3-13-22)14-19(24)21-17-8-6-16(20)7-9-17/h4-11H,2-3,12-14H2,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 1292272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).