2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide

C12H14N4O4S — CID 63000197

IUPAC2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(OCC(N)=O)c2)[nH]1
InChIInChI=1S/C12H14N4O4S/c1-8-14-6-12(15-8)21(18,19)16-9-3-2-4-10(5-9)20-7-11(13)17/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15)
InChIKeySDOOPKKMSVLDOT-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.38
Rot. Bonds6

About 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide

2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide (PubChem CID 63000197) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
PubChem CID63000197
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(OCC(N)=O)c2)[nH]1
InChIInChI=1S/C12H14N4O4S/c1-8-14-6-12(15-8)21(18,19)16-9-3-2-4-10(5-9)20-7-11(13)17/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15)
InChIKeySDOOPKKMSVLDOT-UHFFFAOYSA-N
XLogP0.38
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 77021130
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide (CID 63000197) is 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide is Cc1ncc(S(=O)(=O)Nc2cccc(OCC(N)=O)c2)[nH]1.
What is the InChIKey of 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide?
The InChIKey is SDOOPKKMSVLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-8-14-6-12(15-8)21(18,19)16-9-3-2-4-10(5-9)20-7-11(13)17/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide?
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide has a molecular weight of 310.34 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 63000197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).