N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C20H20ClN3O2S — CID 55423839

IUPACN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-4-5-15(21)12-18(13)23-19(25)14(2)27-20-22-10-11-24(20)16-6-8-17(26-3)9-7-16/h4-12,14H,1-3H3,(H,23,25)
InChIKeyDBEUIEAWJKOADM-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.96
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 55423839) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID55423839
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-4-5-15(21)12-18(13)23-19(25)14(2)27-20-22-10-11-24(20)16-6-8-17(26-3)9-7-16/h4-12,14H,1-3H3,(H,23,25)
InChIKeyDBEUIEAWJKOADM-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
(2R)-N-(5-chloro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8890501
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46687931
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40506992
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 24500728

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 55423839) is N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is DBEUIEAWJKOADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13-4-5-15(21)12-18(13)23-19(25)14(2)27-20-22-10-11-24(20)16-6-8-17(26-3)9-7-16/h4-12,14H,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 401.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 55423839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).