1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide

C17H20N4O2S2 — CID 91625884

IUPAC1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCc2cccnc2-c2cccs2)cn1C
InChIInChI=1S/C17H20N4O2S2/c1-12(2)17-20-15(11-21(17)3)25(22,23)19-10-13-6-4-8-18-16(13)14-7-5-9-24-14/h4-9,11-12,19H,10H2,1-3H3
InChIKeyMGOJKIHZLBBENE-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.15
Rot. Bonds6

About 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide

1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide (PubChem CID 91625884) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
PubChem CID91625884
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCc2cccnc2-c2cccs2)cn1C
InChIInChI=1S/C17H20N4O2S2/c1-12(2)17-20-15(11-21(17)3)25(22,23)19-10-13-6-4-8-18-16(13)14-7-5-9-24-14/h4-9,11-12,19H,10H2,1-3H3
InChIKeyMGOJKIHZLBBENE-UHFFFAOYSA-N
XLogP3.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide with MolForge

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Related Compounds

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
1,2-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 2738899
1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317619
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122252856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide (CID 91625884) is 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCc2cccnc2-c2cccs2)cn1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The InChIKey is MGOJKIHZLBBENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-12(2)17-20-15(11-21(17)3)25(22,23)19-10-13-6-4-8-18-16(13)14-7-5-9-24-14/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 91625884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).