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

C17H16N2O3S — CID 6923544

IUPACmethyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C17H16N2O3S/c1-22-17(21)14(19-16(20)15-7-4-8-23-15)9-11-10-18-13-6-3-2-5-12(11)13/h2-8,10,14,18H,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyYCSIDFGIJYGHKF-CQSZACIVSA-N
MW328.39 g/mol
LogP2.74
Rot. Bonds5

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

methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 6923544) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID6923544
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namemethyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C17H16N2O3S/c1-22-17(21)14(19-16(20)15-7-4-8-23-15)9-11-10-18-13-6-3-2-5-12(11)13/h2-8,10,14,18H,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyYCSIDFGIJYGHKF-CQSZACIVSA-N
XLogP2.74
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
methyl (2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CID 33244587
(4-cyanophenyl)methyl (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 2412048
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate (CID 6923544) is methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.
What is the InChIKey of methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is YCSIDFGIJYGHKF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-17(21)14(19-16(20)15-7-4-8-23-15)9-11-10-18-13-6-3-2-5-12(11)13/h2-8,10,14,18H,9H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate?
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 328.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 6923544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).