3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide

C13H18N4O3S2 — CID 51106312

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCc2ccsc2)cn1C
InChIInChI=1S/C13H18N4O3S2/c1-10-16-13(8-17(10)2)22(19,20)15-5-3-12(18)14-7-11-4-6-21-9-11/h4,6,8-9,15H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyTZXPRZJSVSPPAE-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.77
Rot. Bonds7

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 51106312) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
PubChem CID51106312
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCc2ccsc2)cn1C
InChIInChI=1S/C13H18N4O3S2/c1-10-16-13(8-17(10)2)22(19,20)15-5-3-12(18)14-7-11-4-6-21-9-11/h4,6,8-9,15H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyTZXPRZJSVSPPAE-UHFFFAOYSA-N
XLogP0.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide (CID 51106312) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide is Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccsc2)cn1C.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is TZXPRZJSVSPPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-10-16-13(8-17(10)2)22(19,20)15-5-3-12(18)14-7-11-4-6-21-9-11/h4,6,8-9,15H,3,5,7H2,1-2H3,(H,14,18).
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 342.45 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 51106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).