N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide

C17H23N3OS — CID 23743068

IUPACN-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCc1cccc(C)c1NC(=O)C(CC)Sc1nccn1C
InChIInChI=1S/C17H23N3OS/c1-5-13-9-7-8-12(3)15(13)19-16(21)14(6-2)22-17-18-10-11-20(17)4/h7-11,14H,5-6H2,1-4H3,(H,19,21)
InChIKeySTYJBFNXDHPWRP-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.80
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide

N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide (PubChem CID 23743068) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
PubChem CID23743068
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCc1cccc(C)c1NC(=O)C(CC)Sc1nccn1C
InChIInChI=1S/C17H23N3OS/c1-5-13-9-7-8-12(3)15(13)19-16(21)14(6-2)22-17-18-10-11-20(17)4/h7-11,14H,5-6H2,1-4H3,(H,19,21)
InChIKeySTYJBFNXDHPWRP-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417
N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23742388
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)butanamide
CID 23772212
N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 25034831
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide
CID 76915969
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 7743336
N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 50792838
2,3,4,5-tetrachloro-6-[[3-[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18896017
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide (CID 23743068) is N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide is CCc1cccc(C)c1NC(=O)C(CC)Sc1nccn1C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The InChIKey is STYJBFNXDHPWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-13-9-7-8-12(3)15(13)19-16(21)14(6-2)22-17-18-10-11-20(17)4/h7-11,14H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide has a molecular weight of 317.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide is sourced from PubChem (CID 23743068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).