N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide

C16H22N4O4S — CID 2810841

IUPACN-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cn(C)c(C)n2)c1
InChIInChI=1S/C16H22N4O4S/c1-12-18-16(11-20(12)3)25(22,23)17-8-5-9-24-15-7-4-6-14(10-15)19-13(2)21/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,19,21)
InChIKeyCAXOXJOMNDVKNU-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.43
Rot. Bonds8

About N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide

N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide (PubChem CID 2810841) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
PubChem CID2810841
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cn(C)c(C)n2)c1
InChIInChI=1S/C16H22N4O4S/c1-12-18-16(11-20(12)3)25(22,23)17-8-5-9-24-15-7-4-6-14(10-15)19-13(2)21/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,19,21)
InChIKeyCAXOXJOMNDVKNU-UHFFFAOYSA-N
XLogP1.43
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
CID 3590285
N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide
CID 4512279
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 167961495
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
N-[3-[3-[(3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719601
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide (CID 2810841) is N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cn(C)c(C)n2)c1.
What is the InChIKey of N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide?
The InChIKey is CAXOXJOMNDVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12-18-16(11-20(12)3)25(22,23)17-8-5-9-24-15-7-4-6-14(10-15)19-13(2)21/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 2810841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).