3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H25N3O4S — CID 2999409

IUPAC3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-20(17-7-3-2-4-8-17)15-21(26)23-18-9-11-19(12-10-18)29(27,28)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyVSDWEZICCSENNG-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.68
Rot. Bonds7

About 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 2999409) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID2999409
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-20(17-7-3-2-4-8-17)15-21(26)23-18-9-11-19(12-10-18)29(27,28)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyVSDWEZICCSENNG-UHFFFAOYSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 2999409) is 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VSDWEZICCSENNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)22-20(17-7-3-2-4-8-17)15-21(26)23-18-9-11-19(12-10-18)29(27,28)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 415.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2999409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).