(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide

C23H28N4O3S — CID 31335078

IUPAC(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C23H28N4O3S/c1-16(28)26-20(13-17-14-24-19-6-3-2-5-18(17)19)23(29)25-15-21(22-7-4-12-31-22)27-8-10-30-11-9-27/h2-7,12,14,20-21,24H,8-11,13,15H2,1H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
InChIKeyMEIUYWSZQUWDQB-SFTDATJTSA-N
MW440.57 g/mol
LogP2.47
Rot. Bonds8

About (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide (PubChem CID 31335078) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
PubChem CID31335078
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C23H28N4O3S/c1-16(28)26-20(13-17-14-24-19-6-3-2-5-18(17)19)23(29)25-15-21(22-7-4-12-31-22)27-8-10-30-11-9-27/h2-7,12,14,20-21,24H,8-11,13,15H2,1H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
InChIKeyMEIUYWSZQUWDQB-SFTDATJTSA-N
XLogP2.47
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 42910705
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
CID 86738095
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820719
2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55620765
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55970141
(2R)-2-acetamido-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 39472754
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide (CID 31335078) is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
The InChIKey is MEIUYWSZQUWDQB-SFTDATJTSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(28)26-20(13-17-14-24-19-6-3-2-5-18(17)19)23(29)25-15-21(22-7-4-12-31-22)27-8-10-30-11-9-27/h2-7,12,14,20-21,24H,8-11,13,15H2,1H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide?
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide has a molecular weight of 440.57 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 31335078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).