N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

C27H28N2O4S — CID 30559531

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C27H28N2O4S/c1-20-11-13-21(14-12-20)19-34(31,32)26-17-29(24-9-5-4-8-23(24)26)18-27(30)28-16-15-22-7-3-6-10-25(22)33-2/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,30)
InChIKeyGAWDUBFTSLHGNK-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.29
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559531) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559531
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C27H28N2O4S/c1-20-11-13-21(14-12-20)19-34(31,32)26-17-29(24-9-5-4-8-23(24)26)18-27(30)28-16-15-22-7-3-6-10-25(22)33-2/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,30)
InChIKeyGAWDUBFTSLHGNK-UHFFFAOYSA-N
XLogP4.29
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 20911116
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559531) is N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is COc1ccccc1CCNC(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is GAWDUBFTSLHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-20-11-13-21(14-12-20)19-34(31,32)26-17-29(24-9-5-4-8-23(24)26)18-27(30)28-16-15-22-7-3-6-10-25(22)33-2/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).