N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

C19H18N4OS2 — CID 24577725

IUPACN-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2SC(C)C(=O)Nc2sccc2C#N)c(C)c1
InChIInChI=1S/C19H18N4OS2/c1-12-4-5-16(13(2)10-12)23-8-7-21-19(23)26-14(3)17(24)22-18-15(11-20)6-9-25-18/h4-10,14H,1-3H3,(H,22,24)
InChIKeyGXYMNHOGQLEXGE-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.54
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 24577725) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID24577725
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2SC(C)C(=O)Nc2sccc2C#N)c(C)c1
InChIInChI=1S/C19H18N4OS2/c1-12-4-5-16(13(2)10-12)23-8-7-21-19(23)26-14(3)17(24)22-18-15(11-20)6-9-25-18/h4-10,14H,1-3H3,(H,22,24)
InChIKeyGXYMNHOGQLEXGE-UHFFFAOYSA-N
XLogP4.54
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7870840
N-(4-chlorophenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18226408
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
N-(3-cyanothiophen-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17448336
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918
2-[[(2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675933
(2S)-N-(3-cyanothiophen-2-yl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941742
(2S)-N-(3-cyanothiophen-2-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9306742
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24577688
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55368272
(2S)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8959640

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 24577725) is N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1ccc(-n2ccnc2SC(C)C(=O)Nc2sccc2C#N)c(C)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is GXYMNHOGQLEXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-12-4-5-16(13(2)10-12)23-8-7-21-19(23)26-14(3)17(24)22-18-15(11-20)6-9-25-18/h4-10,14H,1-3H3,(H,22,24).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 382.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 24577725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).