N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide

C19H20FN3O3S — CID 167770585

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)Cc1cccc2[nH]ccc12
InChIInChI=1S/C19H20FN3O3S/c1-23(11-13-4-3-5-17-15(13)8-9-21-17)12-19(24)22-18-10-14(27(2,25)26)6-7-16(18)20/h3-10,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyKZEYJCFTNBTDET-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.78
Rot. Bonds6

About N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide (PubChem CID 167770585) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide
PubChem CID167770585
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)Cc1cccc2[nH]ccc12
InChIInChI=1S/C19H20FN3O3S/c1-23(11-13-4-3-5-17-15(13)8-9-21-17)12-19(24)22-18-10-14(27(2,25)26)6-7-16(18)20/h3-10,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyKZEYJCFTNBTDET-UHFFFAOYSA-N
XLogP2.78
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butylphenyl)methyl-methylamino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 71845017
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035389
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 78798614
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
5-(2-fluoro-5-methylsulfonylanilino)-3-methyl-5-oxopentanoic acid
CID 62964722
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide (CID 167770585) is N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)Cc1cccc2[nH]ccc12.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide?
The InChIKey is KZEYJCFTNBTDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-23(11-13-4-3-5-17-15(13)8-9-21-17)12-19(24)22-18-10-14(27(2,25)26)6-7-16(18)20/h3-10,21H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-[1H-indol-4-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 167770585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).