(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

C20H18N2O5S — CID 23828859

IUPAC(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OC1CCOC1=O)c1cccs1
InChIInChI=1S/C20H18N2O5S/c23-18(17-6-3-9-28-17)22-15(19(24)27-16-7-8-26-20(16)25)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15-16,21H,7-8,10H2,(H,22,23)
InChIKeyZNYXHCBTEVTJKR-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.43
Rot. Bonds6

About (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate

(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 23828859) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID23828859
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OC1CCOC1=O)c1cccs1
InChIInChI=1S/C20H18N2O5S/c23-18(17-6-3-9-28-17)22-15(19(24)27-16-7-8-26-20(16)25)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15-16,21H,7-8,10H2,(H,22,23)
InChIKeyZNYXHCBTEVTJKR-UHFFFAOYSA-N
XLogP2.43
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
(4-cyanophenyl)methyl (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 2412048
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
[2-(4-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 3624220
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thiophene-2-carboxamide
CID 40797397
N-[1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3559323

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (CID 23828859) is (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)OC1CCOC1=O)c1cccs1.
What is the InChIKey of (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is ZNYXHCBTEVTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c23-18(17-6-3-9-28-17)22-15(19(24)27-16-7-8-26-20(16)25)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15-16,21H,7-8,10H2,(H,22,23).
What are the key properties of (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 398.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 23828859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).