N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

C17H20IN3O3S — CID 46809997

IUPACN-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H20IN3O3S/c1-12(13-6-8-16(9-7-13)25(19,23)24)21(2)11-17(22)20-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyPGJFPRLWSACAFZ-UHFFFAOYSA-N
MW473.34 g/mol
LogP2.57
Rot. Bonds6

About N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 46809997) has the molecular formula C17H20IN3O3S and a molecular weight of 473.34 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID46809997
Molecular FormulaC17H20IN3O3S
Molecular Weight473.34 g/mol
Exact Mass473.03
IUPAC NameN-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H20IN3O3S/c1-12(13-6-8-16(9-7-13)25(19,23)24)21(2)11-17(22)20-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyPGJFPRLWSACAFZ-UHFFFAOYSA-N
XLogP2.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 46551665
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 33068523
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 46551619

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 46809997) is N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is PGJFPRLWSACAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O3S/c1-12(13-6-8-16(9-7-13)25(19,23)24)21(2)11-17(22)20-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 473.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 46809997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).