[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

C24H19F2N3O4S — CID 2341715

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C24H19F2N3O4S/c25-15-7-8-17(26)19(11-15)28-22(30)13-33-24(32)20(29-23(31)21-6-3-9-34-21)10-14-12-27-18-5-2-1-4-16(14)18/h1-9,11-12,20,27H,10,13H2,(H,28,30)(H,29,31)/t20-/m1/s1
InChIKeyKSFMSGCDGOVYOA-HXUWFJFHSA-N
MW483.50 g/mol
LogP4.03
Rot. Bonds8

About [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 2341715) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID2341715
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C24H19F2N3O4S/c25-15-7-8-17(26)19(11-15)28-22(30)13-33-24(32)20(29-23(31)21-6-3-9-34-21)10-14-12-27-18-5-2-1-4-16(14)18/h1-9,11-12,20,27H,10,13H2,(H,28,30)(H,29,31)/t20-/m1/s1
InChIKeyKSFMSGCDGOVYOA-HXUWFJFHSA-N
XLogP4.03
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
[2-(4-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 3624220
[2-(3-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 4013956
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42901430
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 4858411
[2-(4-fluoroanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325867
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2362619
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2389155
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2115665
N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 4557310

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (CID 2341715) is [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is KSFMSGCDGOVYOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c25-15-7-8-17(26)19(11-15)28-22(30)13-33-24(32)20(29-23(31)21-6-3-9-34-21)10-14-12-27-18-5-2-1-4-16(14)18/h1-9,11-12,20,27H,10,13H2,(H,28,30)(H,29,31)/t20-/m1/s1.
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
[2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 483.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 2341715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).