N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C25H24FN3O3S — CID 24552173

IUPACN-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C25H24FN3O3S/c1-29(12-13-32-22-10-5-3-8-19(22)26)25(31)21(28-24(30)23-11-6-14-33-23)15-17-16-27-20-9-4-2-7-18(17)20/h2-11,14,16,21,27H,12-13,15H2,1H3,(H,28,30)/t21-/m0/s1
InChIKeyONPQIIAVAHBPOU-NRFANRHFSA-N
MW465.55 g/mol
LogP4.25
Rot. Bonds9

About N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 24552173) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID24552173
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C25H24FN3O3S/c1-29(12-13-32-22-10-5-3-8-19(22)26)25(31)21(28-24(30)23-11-6-14-33-23)15-17-16-27-20-9-4-2-7-18(17)20/h2-11,14,16,21,27H,12-13,15H2,1H3,(H,28,30)/t21-/m0/s1
InChIKeyONPQIIAVAHBPOU-NRFANRHFSA-N
XLogP4.25
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24550043
N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46555681
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46563864
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771
N-[(2S)-3-(1H-indol-3-yl)-1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24543500
[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 2341715
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 24552173) is N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is CN(CCOc1ccccc1F)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.
What is the InChIKey of N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ONPQIIAVAHBPOU-NRFANRHFSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-29(12-13-32-22-10-5-3-8-19(22)26)25(31)21(28-24(30)23-11-6-14-33-23)15-17-16-27-20-9-4-2-7-18(17)20/h2-11,14,16,21,27H,12-13,15H2,1H3,(H,28,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24552173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).