N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

C26H26N2OS — CID 5065229

IUPACN-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(SCC(=O)Nc3cc(C)ccc3C)c3ccccc32)cc1
InChIInChI=1S/C26H26N2OS/c1-18-9-12-21(13-10-18)15-28-16-25(22-6-4-5-7-24(22)28)30-17-26(29)27-23-14-19(2)8-11-20(23)3/h4-14,16H,15,17H2,1-3H3,(H,27,29)
InChIKeyQRNWARYRZFTGOJ-UHFFFAOYSA-N
MW414.57 g/mol
LogP6.35
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 5065229) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID5065229
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(SCC(=O)Nc3cc(C)ccc3C)c3ccccc32)cc1
InChIInChI=1S/C26H26N2OS/c1-18-9-12-21(13-10-18)15-28-16-25(22-6-4-5-7-24(22)28)30-17-26(29)27-23-14-19(2)8-11-20(23)3/h4-14,16H,15,17H2,1-3H3,(H,27,29)
InChIKeyQRNWARYRZFTGOJ-UHFFFAOYSA-N
XLogP6.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3624347
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3653922
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
N-(2,3-dimethylphenyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4181448
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4319508
ethyl 4-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 23827061
2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4094177

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (CID 5065229) is N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is Cc1ccc(Cn2cc(SCC(=O)Nc3cc(C)ccc3C)c3ccccc32)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is QRNWARYRZFTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-18-9-12-21(13-10-18)15-28-16-25(22-6-4-5-7-24(22)28)30-17-26(29)27-23-14-19(2)8-11-20(23)3/h4-14,16H,15,17H2,1-3H3,(H,27,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 414.57 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 5065229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).