2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C22H19FN2O3S2 — CID 30560690

IUPAC2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H19FN2O3S2/c23-17-9-7-16(8-10-17)15-30(27,28)21-13-25(20-6-2-1-5-19(20)21)14-22(26)24-12-18-4-3-11-29-18/h1-11,13H,12,14-15H2,(H,24,26)
InChIKeyGWSSDHKKGWKFAI-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.13
Rot. Bonds7

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

2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 30560690) has the molecular formula C22H19FN2O3S2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID30560690
Molecular FormulaC22H19FN2O3S2
Molecular Weight442.54 g/mol
Exact Mass442.08
IUPAC Name2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C22H19FN2O3S2/c23-17-9-7-16(8-10-17)15-30(27,28)21-13-25(20-6-2-1-5-19(20)21)14-22(26)24-12-18-4-3-11-29-18/h1-11,13H,12,14-15H2,(H,24,26)
InChIKeyGWSSDHKKGWKFAI-UHFFFAOYSA-N
XLogP4.13
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1095465
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560784
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30561057
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 30560690) is 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1cccs1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GWSSDHKKGWKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S2/c23-17-9-7-16(8-10-17)15-30(27,28)21-13-25(20-6-2-1-5-19(20)21)14-22(26)24-12-18-4-3-11-29-18/h1-11,13H,12,14-15H2,(H,24,26).
What are the key properties of 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 30560690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).