2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide

C18H23N3O2S — CID 75373208

IUPAC2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
SMILESCc1cccc2c(CC(=O)NC(C)C(=O)N3CCSCC3)c[nH]c12
InChIInChI=1S/C18H23N3O2S/c1-12-4-3-5-15-14(11-19-17(12)15)10-16(22)20-13(2)18(23)21-6-8-24-9-7-21/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,22)
InChIKeyJWPYCYQZFDFIOU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.10
Rot. Bonds4

About 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide

2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide (PubChem CID 75373208) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
PubChem CID75373208
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
SMILESCc1cccc2c(CC(=O)NC(C)C(=O)N3CCSCC3)c[nH]c12
InChIInChI=1S/C18H23N3O2S/c1-12-4-3-5-15-14(11-19-17(12)15)10-16(22)20-13(2)18(23)21-6-8-24-9-7-21/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,22)
InChIKeyJWPYCYQZFDFIOU-UHFFFAOYSA-N
XLogP2.10
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
3-methyl-2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119211734
N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111808934
N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111597192
3-hydroxy-4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]butanoic acid
CID 138048367
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
(3R)-3-(3-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]butanamide
CID 97214139
N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111471037
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 51968328
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide (CID 75373208) is 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide is Cc1cccc2c(CC(=O)NC(C)C(=O)N3CCSCC3)c[nH]c12.
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is JWPYCYQZFDFIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-4-3-5-15-14(11-19-17(12)15)10-16(22)20-13(2)18(23)21-6-8-24-9-7-21/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 75373208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).