N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C21H22FN3O3S — CID 20918799

IUPACN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O3S/c22-18-5-3-16(4-6-18)14-23-21(26)15-24-12-9-17-13-19(7-8-20(17)24)29(27,28)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14-15H2,(H,23,26)
InChIKeySBPMCRXVAYTBHK-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.88
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918799) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918799
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O3S/c22-18-5-3-16(4-6-18)14-23-21(26)15-24-12-9-17-13-19(7-8-20(17)24)29(27,28)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14-15H2,(H,23,26)
InChIKeySBPMCRXVAYTBHK-UHFFFAOYSA-N
XLogP2.88
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxsi-2
CID 6419747
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10274389
4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10291754
4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11739679
4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388943
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
Substituted phenylsulfonyltryptamine, 11e
CID 23655290
4-[3-(2-Diethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23872164
1-(2-Fluoro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389016

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918799) is N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is SBPMCRXVAYTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-18-5-3-16(4-6-18)14-23-21(26)15-24-12-9-17-13-19(7-8-20(17)24)29(27,28)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14-15H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).