2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

C10H11N3O4S2 — CID 64548410

IUPAC2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H11N3O4S2/c14-9(15)5-7-1-2-10(18-7)19(16,17)13-6-8-11-3-4-12-8/h1-4,13H,5-6H2,(H,11,12)(H,14,15)
InChIKeyZWCNBWPHJZQKJB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.58
Rot. Bonds6

About 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 64548410) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID64548410
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H11N3O4S2/c14-9(15)5-7-1-2-10(18-7)19(16,17)13-6-8-11-3-4-12-8/h1-4,13H,5-6H2,(H,11,12)(H,14,15)
InChIKeyZWCNBWPHJZQKJB-UHFFFAOYSA-N
XLogP0.58
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114135147
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 106120467
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (CID 64548410) is 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCc2ncc[nH]2)s1.
What is the InChIKey of 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is ZWCNBWPHJZQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c14-9(15)5-7-1-2-10(18-7)19(16,17)13-6-8-11-3-4-12-8/h1-4,13H,5-6H2,(H,11,12)(H,14,15).
What are the key properties of 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 64548410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).