N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide

C23H28N4O3S — CID 28820719

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C23H28N4O3S/c1-16(21(20-7-4-14-31-20)27-10-12-30-13-11-27)26-23(29)22(28)24-9-8-17-15-25-19-6-3-2-5-18(17)19/h2-7,14-16,21,25H,8-13H2,1H3,(H,24,28)(H,26,29)/t16-,21+/m1/s1
InChIKeyNGFAFQGHCYPTSV-IERDGZPVSA-N
MW440.57 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide (PubChem CID 28820719) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
PubChem CID28820719
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C23H28N4O3S/c1-16(21(20-7-4-14-31-20)27-10-12-30-13-11-27)26-23(29)22(28)24-9-8-17-15-25-19-6-3-2-5-18(17)19/h2-7,14-16,21,25H,8-13H2,1H3,(H,24,28)(H,26,29)/t16-,21+/m1/s1
InChIKeyNGFAFQGHCYPTSV-IERDGZPVSA-N
XLogP2.47
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N'-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866396
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 28820930
N'-[(1R,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 92906446
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 98209355
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 98209356
N-[(4-fluorophenyl)methyl]-N'-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665747
N-[(2-chlorophenyl)methyl]-N'-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)oxamide
CID 16806516
N-[(2-chlorophenyl)methyl]-N'-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 7110520
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-(2-morpholin-4-ylethyl)-N'-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821063
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
N'-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92766668

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide (CID 28820719) is N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide is C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide?
The InChIKey is NGFAFQGHCYPTSV-IERDGZPVSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(21(20-7-4-14-31-20)27-10-12-30-13-11-27)26-23(29)22(28)24-9-8-17-15-25-19-6-3-2-5-18(17)19/h2-7,14-16,21,25H,8-13H2,1H3,(H,24,28)(H,26,29)/t16-,21+/m1/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide has a molecular weight of 440.57 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide is sourced from PubChem (CID 28820719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).