N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C24H30N4O2S — CID 18163998

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30N4O2S/c1-4-27(5-2)17-20-8-6-19(7-9-20)16-26-23(29)18-31-24-25-14-15-28(24)21-10-12-22(30-3)13-11-21/h6-15H,4-5,16-18H2,1-3H3,(H,26,29)
InChIKeyLGSYAFKHDHNPAP-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.13
Rot. Bonds11

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 18163998) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID18163998
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30N4O2S/c1-4-27(5-2)17-20-8-6-19(7-9-20)16-26-23(29)18-31-24-25-14-15-28(24)21-10-12-22(30-3)13-11-21/h6-15H,4-5,16-18H2,1-3H3,(H,26,29)
InChIKeyLGSYAFKHDHNPAP-UHFFFAOYSA-N
XLogP4.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 46517108
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 18163998) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is CCN(CC)Cc1ccc(CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is LGSYAFKHDHNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-4-27(5-2)17-20-8-6-19(7-9-20)16-26-23(29)18-31-24-25-14-15-28(24)21-10-12-22(30-3)13-11-21/h6-15H,4-5,16-18H2,1-3H3,(H,26,29).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 438.60 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 18163998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).