N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

C25H23FN2O5S — CID 20911157

IUPACN-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H23FN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyQNTZUBXQJMMHCL-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.41
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 20911157) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID20911157
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H23FN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyQNTZUBXQJMMHCL-UHFFFAOYSA-N
XLogP4.41
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 20911242
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911185
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
N-(2,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
CID 16812456
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30559699
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
ethyl 2-[2-[[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 30559954
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 20911157) is N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is QNTZUBXQJMMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-32-18-11-12-21(23(13-18)33-2)27-25(29)15-28-14-24(19-8-4-6-10-22(19)28)34(30,31)16-17-7-3-5-9-20(17)26/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 482.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 20911157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).