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

C25H24N2O4S — CID 30292518

IUPACN-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C25H24N2O4S/c1-18-8-7-9-19(14-18)17-32(29,30)24-15-27(22-12-5-3-10-20(22)24)16-25(28)26-21-11-4-6-13-23(21)31-2/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyNVMKYKXIGGNQDO-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.57
Rot. Bonds7

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

N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30292518) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30292518
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C25H24N2O4S/c1-18-8-7-9-19(14-18)17-32(29,30)24-15-27(22-12-5-3-10-20(22)24)16-25(28)26-21-11-4-6-13-23(21)31-2/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyNVMKYKXIGGNQDO-UHFFFAOYSA-N
XLogP4.57
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 20911242

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30292518) is N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2cccc(C)c2)c2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is NVMKYKXIGGNQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-18-8-7-9-19(14-18)17-32(29,30)24-15-27(22-12-5-3-10-20(22)24)16-25(28)26-21-11-4-6-13-23(21)31-2/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30292518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).