N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide

C19H27N3O2S — CID 55640413

IUPACN-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide
SMILESCOCCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc(C)c1C
InChIInChI=1S/C19H27N3O2S/c1-14-15(2)22(11-12-24-5)19(20-14)25-16(3)18(23)21(4)13-17-9-7-6-8-10-17/h6-10,16H,11-13H2,1-5H3
InChIKeySKUDVPWDRXOSCX-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.29
Rot. Bonds8

About N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide

N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide (PubChem CID 55640413) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide
PubChem CID55640413
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide
SMILESCOCCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc(C)c1C
InChIInChI=1S/C19H27N3O2S/c1-14-15(2)22(11-12-24-5)19(20-14)25-16(3)18(23)21(4)13-17-9-7-6-8-10-17/h6-10,16H,11-13H2,1-5H3
InChIKeySKUDVPWDRXOSCX-UHFFFAOYSA-N
XLogP3.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylacetamide
CID 55640165
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 24573901
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 55517155
N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42981563
N-benzyl-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17402916
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 51329528
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylpropanamide
CID 78763589
N-benzyl-N-methyl-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78764675
(2S)-N-benzyl-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide
CID 7690405
N-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
CID 55640224
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
(2S)-N-benzyl-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8787138

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide (CID 55640413) is N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide is COCCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc(C)c1C.
What is the InChIKey of N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide?
The InChIKey is SKUDVPWDRXOSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-15(2)22(11-12-24-5)19(20-14)25-16(3)18(23)21(4)13-17-9-7-6-8-10-17/h6-10,16H,11-13H2,1-5H3.
What are the key properties of N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide?
N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide has a molecular weight of 361.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-methylpropanamide is sourced from PubChem (CID 55640413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).