2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide

C23H27FN2O3S — CID 16834544

IUPAC2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)C(C)C
InChIInChI=1S/C23H27FN2O3S/c1-16(2)26(17(3)4)23(27)14-25-13-22(19-10-6-8-12-21(19)25)30(28,29)15-18-9-5-7-11-20(18)24/h5-13,16-17H,14-15H2,1-4H3
InChIKeyVZRQYKYARNGHLC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.40
Rot. Bonds7

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

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 16834544) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID16834544
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)C(C)C
InChIInChI=1S/C23H27FN2O3S/c1-16(2)26(17(3)4)23(27)14-25-13-22(19-10-6-8-12-21(19)25)30(28,29)15-18-9-5-7-11-20(18)24/h5-13,16-17H,14-15H2,1-4H3
InChIKeyVZRQYKYARNGHLC-UHFFFAOYSA-N
XLogP4.40
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563713
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 24891981
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30559699
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30559725
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834547
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911185
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 16834544) is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)C(C)C.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is VZRQYKYARNGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-16(2)26(17(3)4)23(27)14-25-13-22(19-10-6-8-12-21(19)25)30(28,29)15-18-9-5-7-11-20(18)24/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 16834544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).