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

C21H25N3O4S — CID 2094762

IUPAC(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)N[C@H](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)/t20-/m1/s1
InChIKeyVSDWEZICCSENNG-HXUWFJFHSA-N
MW415.52 g/mol
LogP2.68
Rot. Bonds7

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

(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 2094762) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID2094762
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)N[C@H](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)/t20-/m1/s1
InChIKeyVSDWEZICCSENNG-HXUWFJFHSA-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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Related Compounds

(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
(3S)-3-acetamido-3-(2-chlorophenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 51724159
(3S)-3-acetamido-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-phenylpropanamide
CID 40862928
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-(carbamoylamino)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 51929775
(3R)-3-acetamido-3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26539334
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
[(1S)-2-methyl-1-phenylpropyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 9131656
N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083684
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 2094762) is (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VSDWEZICCSENNG-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
(3R)-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 (3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2094762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).