2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

C34H35N5O4S — CID 67365432

IUPAC2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESNN=Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C34H35N5O4S/c35-37-23-27-10-7-11-28(22-27)24-38-21-19-32(34(38)41)39(25-33(40)36-20-18-26-8-3-1-4-9-26)44(42,43)31-16-14-30(15-17-31)29-12-5-2-6-13-29/h1-17,22-23,32H,18-21,24-25,35H2,(H,36,40)/t32-/m0/s1
InChIKeyHYUDNGOVQNCPFN-YTTGMZPUSA-N
MW609.75 g/mol
LogP3.80
Rot. Bonds12

About 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 67365432) has the molecular formula C34H35N5O4S and a molecular weight of 609.75 g/mol. Its IUPAC name is 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID67365432
Molecular FormulaC34H35N5O4S
Molecular Weight609.75 g/mol
Exact Mass609.24
IUPAC Name2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESNN=Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C34H35N5O4S/c35-37-23-27-10-7-11-28(22-27)24-38-21-19-32(34(38)41)39(25-33(40)36-20-18-26-8-3-1-4-9-26)44(42,43)31-16-14-30(15-17-31)29-12-5-2-6-13-29/h1-17,22-23,32H,18-21,24-25,35H2,(H,36,40)/t32-/m0/s1
InChIKeyHYUDNGOVQNCPFN-YTTGMZPUSA-N
XLogP3.80
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 18392423
N-benzyl-2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide;2,2,2-trifluoroacetic acid
CID 67367278
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
2-chloro-N-[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 159530139
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
CID 20876066
(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide
CID 142240866
2-[benzenesulfonyl(benzyl)amino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100799790
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18208902
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(2-phenylethyl)acetamide
CID 146210755

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (CID 67365432) is 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is NN=Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1.
What is the InChIKey of 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is HYUDNGOVQNCPFN-YTTGMZPUSA-N. The full InChI is InChI=1S/C34H35N5O4S/c35-37-23-27-10-7-11-28(22-27)24-38-21-19-32(34(38)41)39(25-33(40)36-20-18-26-8-3-1-4-9-26)44(42,43)31-16-14-30(15-17-31)29-12-5-2-6-13-29/h1-17,22-23,32H,18-21,24-25,35H2,(H,36,40)/t32-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 609.75 g/mol, XLogP of 3.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 67365432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).