2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide

C13H17N3OS — CID 3588018

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)SC1=NCCN1
InChIInChI=1S/C13H17N3OS/c1-9-5-3-4-6-11(9)16-12(17)10(2)18-13-14-7-8-15-13/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJNBWIQXQTHREHQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.01
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide (PubChem CID 3588018) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide
PubChem CID3588018
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)SC1=NCCN1
InChIInChI=1S/C13H17N3OS/c1-9-5-3-4-6-11(9)16-12(17)10(2)18-13-14-7-8-15-13/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJNBWIQXQTHREHQ-UHFFFAOYSA-N
XLogP2.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 17494567
N-(2-methylphenyl)-2-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide
CID 53292076
(2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 6550766
2-(1,4-dioxonaphthalen-2-yl)sulfanyl-N-(2-methylphenyl)propanamide
CID 5279650
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 40938120
(2S)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 41073533
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2R)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 7743319
2-[[4-(2-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 3214633
methyl 2-[4-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl-1H-1,5-benzodiazepin-2-yl]acetate
CID 95066088

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide (CID 3588018) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)SC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide?
The InChIKey is JNBWIQXQTHREHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-5-3-4-6-11(9)16-12(17)10(2)18-13-14-7-8-15-13/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide has a molecular weight of 263.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 3588018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).