N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide

C14H20IN3O4S — CID 46501725

IUPACN-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20IN3O4S/c1-2-3-8-16-13(19)9-17-14(20)10-18-23(21,22)12-6-4-11(15)5-7-12/h4-7,18H,2-3,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyZMQVLIDREISXRI-UHFFFAOYSA-N
MW453.30 g/mol
LogP0.60
Rot. Bonds9

About N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide

N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 46501725) has the molecular formula C14H20IN3O4S and a molecular weight of 453.30 g/mol. Its IUPAC name is N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID46501725
Molecular FormulaC14H20IN3O4S
Molecular Weight453.30 g/mol
Exact Mass453.02
IUPAC NameN-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20IN3O4S/c1-2-3-8-16-13(19)9-17-14(20)10-18-23(21,22)12-6-4-11(15)5-7-12/h4-7,18H,2-3,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyZMQVLIDREISXRI-UHFFFAOYSA-N
XLogP0.60
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
methyl 2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]hexanoate
CID 3760299
[2-(butylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954138
N-butyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 23603180
N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
CID 57249769
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide (CID 46501725) is N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide is CCCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is ZMQVLIDREISXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O4S/c1-2-3-8-16-13(19)9-17-14(20)10-18-23(21,22)12-6-4-11(15)5-7-12/h4-7,18H,2-3,8-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide?
N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 453.30 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 46501725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).