N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

C17H23N3OS — CID 51236327

IUPACN-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H23N3OS/c1-12-7-6-8-14(11-12)20-10-9-18-16(20)22-13(2)15(21)19-17(3,4)5/h6-11,13H,1-5H3,(H,19,21)
InChIKeyBDNDEVKNINADPS-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.58
Rot. Bonds4

About N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 51236327) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID51236327
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H23N3OS/c1-12-7-6-8-14(11-12)20-10-9-18-16(20)22-13(2)15(21)19-17(3,4)5/h6-11,13H,1-5H3,(H,19,21)
InChIKeyBDNDEVKNINADPS-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
CID 24500840
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 51236327) is N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1cccc(-n2ccnc2SC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is BDNDEVKNINADPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-7-6-8-14(11-12)20-10-9-18-16(20)22-13(2)15(21)19-17(3,4)5/h6-11,13H,1-5H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51236327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).