2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide

C19H24FN3O2S — CID 138043634

IUPAC2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCC1
InChIInChI=1S/C19H24FN3O2S/c1-12(24)23-17(18(25)22-11-19(26-2)6-3-7-19)8-13-10-21-16-9-14(20)4-5-15(13)16/h4-5,9-10,17,21H,3,6-8,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGAYJNOXTCCVBHR-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.76
Rot. Bonds7

About 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide

2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide (PubChem CID 138043634) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
PubChem CID138043634
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCC1
InChIInChI=1S/C19H24FN3O2S/c1-12(24)23-17(18(25)22-11-19(26-2)6-3-7-19)8-13-10-21-16-9-14(20)4-5-15(13)16/h4-5,9-10,17,21H,3,6-8,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGAYJNOXTCCVBHR-UHFFFAOYSA-N
XLogP2.76
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
CID 96528885
(2R)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
CID 96528886
methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
CID 120991876
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
tert-butyl N-[1-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]cycloheptyl]carbamate
CID 55620325
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-(tert-butylamino)-1-(6-fluoro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 171439337
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
methyl (2S)-2-acetamido-3-[6-[3-(trifluoromethyl)diazirin-3-yl]-1H-indol-3-yl]propanoate
CID 102197398
2-acetamido-3-(6-amino-1H-indol-3-yl)propanoic acid
CID 166609016
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124705140

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The IUPAC name of 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide (CID 138043634) is 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The canonical SMILES for 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide is CSC1(CNC(=O)C(Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCC1.
What is the InChIKey of 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The InChIKey is GAYJNOXTCCVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-12(24)23-17(18(25)22-11-19(26-2)6-3-7-19)8-13-10-21-16-9-14(20)4-5-15(13)16/h4-5,9-10,17,21H,3,6-8,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 138043634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).