N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide

C24H23N5O3S — CID 172916337

IUPACN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28)
InChIKeySVDHOWDKPFNTMO-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.32
Rot. Bonds8

About N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide (PubChem CID 172916337) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide
PubChem CID172916337
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)[nH]1
InChIInChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28)
InChIKeySVDHOWDKPFNTMO-UHFFFAOYSA-N
XLogP3.32
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide?
The IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide (CID 172916337) is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide is Nc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)[nH]1.
What is the InChIKey of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide?
The InChIKey is SVDHOWDKPFNTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28).
What are the key properties of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide?
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide has a molecular weight of 461.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(benzenesulfonamido)phenyl]acetamide is sourced from PubChem (CID 172916337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).