2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

C23H27N3OS — CID 166221496

IUPAC2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCSCC2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H27N3OS/c1-17(21-16-25(2)22-9-4-3-8-20(21)22)23(27)24-19-7-5-6-18(14-19)15-26-10-12-28-13-11-26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyCLWSBSWCLKOHOV-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.47
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide

2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 166221496) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
PubChem CID166221496
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCSCC2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H27N3OS/c1-17(21-16-25(2)22-9-4-3-8-20(21)22)23(27)24-19-7-5-6-18(14-19)15-26-10-12-28-13-11-26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyCLWSBSWCLKOHOV-UHFFFAOYSA-N
XLogP4.47
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
CID 49005460
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
1-tert-butyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 49057974
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
2-benzylsulfanyl-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778351
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide (CID 166221496) is 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(CN2CCSCC2)c1)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is CLWSBSWCLKOHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-17(21-16-25(2)22-9-4-3-8-20(21)22)23(27)24-19-7-5-6-18(14-19)15-26-10-12-28-13-11-26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide?
2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 393.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 166221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).