4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide

C19H26N4O2S — CID 46811640

IUPAC4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)n(CC(C)C)c1C
InChIInChI=1S/C19H26N4O2S/c1-11(2)10-23-13(4)12(3)21-19(23)26-14(5)18(25)22-16-8-6-15(7-9-16)17(20)24/h6-9,11,14H,10H2,1-5H3,(H2,20,24)(H,22,25)
InChIKeyADOQGCDWNCCVGS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.37
Rot. Bonds7

About 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide

4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide (PubChem CID 46811640) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
PubChem CID46811640
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)n(CC(C)C)c1C
InChIInChI=1S/C19H26N4O2S/c1-11(2)10-23-13(4)12(3)21-19(23)26-14(5)18(25)22-16-8-6-15(7-9-16)17(20)24/h6-9,11,14H,10H2,1-5H3,(H2,20,24)(H,22,25)
InChIKeyADOQGCDWNCCVGS-UHFFFAOYSA-N
XLogP3.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 46687583
N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
CID 51236469
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
(2R)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 40518428
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
4-[[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
CID 7352460
4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 42985932
4-[[(2R)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
CID 7168912
4-[[(2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
CID 7168911
N-(4-acetylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270221
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
4-[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide
CID 4779787

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide?
The IUPAC name of 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide (CID 46811640) is 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide?
The canonical SMILES for 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide is Cc1nc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)n(CC(C)C)c1C.
What is the InChIKey of 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide?
The InChIKey is ADOQGCDWNCCVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-11(2)10-23-13(4)12(3)21-19(23)26-14(5)18(25)22-16-8-6-15(7-9-16)17(20)24/h6-9,11,14H,10H2,1-5H3,(H2,20,24)(H,22,25).
What are the key properties of 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide?
4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 46811640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).