N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide

C21H26N2O3S — CID 8682208

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-14-9-15(2)21(16(3)10-14)27-13-20(25)23(4)12-19(24)22-17-7-6-8-18(11-17)26-5/h6-11H,12-13H2,1-5H3,(H,22,24)
InChIKeyIQNXBSCNMROKTG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.81
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide (PubChem CID 8682208) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
PubChem CID8682208
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CSc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-14-9-15(2)21(16(3)10-14)27-13-20(25)23(4)12-19(24)22-17-7-6-8-18(11-17)26-5/h6-11H,12-13H2,1-5H3,(H,22,24)
InChIKeyIQNXBSCNMROKTG-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
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-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8511461
N-(3-methoxyphenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34773169
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 24686582
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide (CID 8682208) is N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide is COc1cccc(NC(=O)CN(C)C(=O)CSc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is IQNXBSCNMROKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-9-15(2)21(16(3)10-14)27-13-20(25)23(4)12-19(24)22-17-7-6-8-18(11-17)26-5/h6-11H,12-13H2,1-5H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 8682208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).