1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide

C15H23N3O2S2 — CID 71851155

IUPAC1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1
InChIInChI=1S/C15H23N3O2S2/c1-5-12(2)18-10-15(16-11-18)22(19,20)17(4)13(3)9-14-7-6-8-21-14/h6-8,10-13H,5,9H2,1-4H3
InChIKeyDQAGFGOKVIPBHZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.17
Rot. Bonds7

About 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide

1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide (PubChem CID 71851155) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
PubChem CID71851155
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC Name1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1
InChIInChI=1S/C15H23N3O2S2/c1-5-12(2)18-10-15(16-11-18)22(19,20)17(4)13(3)9-14-7-6-8-21-14/h6-8,10-13H,5,9H2,1-4H3
InChIKeyDQAGFGOKVIPBHZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 79489676
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
1-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propane-2-sulfonamide
CID 79487473
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide (CID 71851155) is 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1.
What is the InChIKey of 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide?
The InChIKey is DQAGFGOKVIPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-5-12(2)18-10-15(16-11-18)22(19,20)17(4)13(3)9-14-7-6-8-21-14/h6-8,10-13H,5,9H2,1-4H3.
What are the key properties of 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide?
1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide has a molecular weight of 341.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 71851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).