N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide

C24H28N4O3S — CID 35114834

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H28N4O3S/c1-17(2)20-10-5-6-11-21(20)28-13-12-25-24(28)32-16-23(30)27(3)15-22(29)26-18-8-7-9-19(14-18)31-4/h5-14,17H,15-16H2,1-4H3,(H,26,29)
InChIKeyHAFQDBYEEZGEKH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.19
Rot. Bonds9

About N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide (PubChem CID 35114834) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide
PubChem CID35114834
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H28N4O3S/c1-17(2)20-10-5-6-11-21(20)28-13-12-25-24(28)32-16-23(30)27(3)15-22(29)26-18-8-7-9-19(14-18)31-4/h5-14,17H,15-16H2,1-4H3,(H,26,29)
InChIKeyHAFQDBYEEZGEKH-UHFFFAOYSA-N
XLogP4.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24578264
N-(3-methoxyphenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34773169
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55399523
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[[2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 18202466
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8511461

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide (CID 35114834) is N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide is COc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2ccccc2C(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is HAFQDBYEEZGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17(2)20-10-5-6-11-21(20)28-13-12-25-24(28)32-16-23(30)27(3)15-22(29)26-18-8-7-9-19(14-18)31-4/h5-14,17H,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 35114834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).