2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide

C22H22BrN3O3S — CID 167766211

IUPAC2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide
SMILESNS(=O)(=O)c1cccc2cc(NC(=O)C(c3ccc(Br)cc3)N3CCCC3)ccc12
InChIInChI=1S/C22H22BrN3O3S/c23-17-8-6-15(7-9-17)21(26-12-1-2-13-26)22(27)25-18-10-11-19-16(14-18)4-3-5-20(19)30(24,28)29/h3-11,14,21H,1-2,12-13H2,(H,25,27)(H2,24,28,29)
InChIKeyBZXRUGSSAHBXTJ-UHFFFAOYSA-N
MW488.41 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide

2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide (PubChem CID 167766211) has the molecular formula C22H22BrN3O3S and a molecular weight of 488.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide
PubChem CID167766211
Molecular FormulaC22H22BrN3O3S
Molecular Weight488.41 g/mol
Exact Mass487.06
IUPAC Name2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide
SMILESNS(=O)(=O)c1cccc2cc(NC(=O)C(c3ccc(Br)cc3)N3CCCC3)ccc12
InChIInChI=1S/C22H22BrN3O3S/c23-17-8-6-15(7-9-17)21(26-12-1-2-13-26)22(27)25-18-10-11-19-16(14-18)4-3-5-20(19)30(24,28)29/h3-11,14,21H,1-2,12-13H2,(H,25,27)(H2,24,28,29)
InChIKeyBZXRUGSSAHBXTJ-UHFFFAOYSA-N
XLogP4.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)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-(4-bromophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 71920837
N-(4-hydroxynaphthalen-2-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 166263336
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86934038
(2S)-2-amino-5-(diaminomethylideneamino)-N-(5-piperidin-1-ylsulfonylnaphthalen-2-yl)pentanamide
CID 15172481
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide (CID 167766211) is 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide is NS(=O)(=O)c1cccc2cc(NC(=O)C(c3ccc(Br)cc3)N3CCCC3)ccc12.
What is the InChIKey of 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide?
The InChIKey is BZXRUGSSAHBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3S/c23-17-8-6-15(7-9-17)21(26-12-1-2-13-26)22(27)25-18-10-11-19-16(14-18)4-3-5-20(19)30(24,28)29/h3-11,14,21H,1-2,12-13H2,(H,25,27)(H2,24,28,29).
What are the key properties of 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide?
2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide has a molecular weight of 488.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-pyrrolidin-1-yl-N-(5-sulfamoylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 167766211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).