N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide

C16H20N4O4S2 — CID 25034831

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C16H20N4O4S2/c1-4-14(25-16-17-9-10-20(16)3)15(22)18-12-5-7-13(8-6-12)26(23,24)19-11(2)21/h5-10,14H,4H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGZUMJZJEACGXGX-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.75
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide

N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide (PubChem CID 25034831) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
PubChem CID25034831
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C16H20N4O4S2/c1-4-14(25-16-17-9-10-20(16)3)15(22)18-12-5-7-13(8-6-12)26(23,24)19-11(2)21/h5-10,14H,4H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGZUMJZJEACGXGX-UHFFFAOYSA-N
XLogP1.75
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoate
CID 23830213
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 40608681
N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23742388
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417
N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23743068
(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
CID 95970135
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 40529308
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 40529199
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide (CID 25034831) is N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide is CCC(Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The InChIKey is GZUMJZJEACGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-4-14(25-16-17-9-10-20(16)3)15(22)18-12-5-7-13(8-6-12)26(23,24)19-11(2)21/h5-10,14H,4H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide has a molecular weight of 396.49 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide is sourced from PubChem (CID 25034831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).