3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide

C20H18N2OS — CID 57128496

IUPAC3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide
SMILESNC(=O)CCc1cc2c3ccccc3n(Cc3ccccc3)c2s1
InChIInChI=1S/C20H18N2OS/c21-19(23)11-10-15-12-17-16-8-4-5-9-18(16)22(20(17)24-15)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,21,23)
InChIKeyMWDGXLUGTVSQHI-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.32
Rot. Bonds5

About 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide

3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide (PubChem CID 57128496) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide
PubChem CID57128496
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide
SMILESNC(=O)CCc1cc2c3ccccc3n(Cc3ccccc3)c2s1
InChIInChI=1S/C20H18N2OS/c21-19(23)11-10-15-12-17-16-8-4-5-9-18(16)22(20(17)24-15)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,21,23)
InChIKeyMWDGXLUGTVSQHI-UHFFFAOYSA-N
XLogP4.32
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-7-bromothieno[2,3-b]indole-2-carboxylic acid
CID 23210615
2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
CID 71397775
carbonic acid;3-phenylpropanamide
CID 174965682
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
2-(2-acetamido-1-benzylindol-3-yl)acetamide
CID 57105980
4-benzyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxamide
CID 23459226
1-benzylindole-2,3-diamine
CID 142192316
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
N'-benzylbutanediamide
CID 4682951
9-benzyl-2-bromocarbazole
CID 123133636

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide?
The IUPAC name of 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide (CID 57128496) is 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide.
What is the SMILES notation for 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide?
The canonical SMILES for 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide is NC(=O)CCc1cc2c3ccccc3n(Cc3ccccc3)c2s1.
What is the InChIKey of 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide?
The InChIKey is MWDGXLUGTVSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c21-19(23)11-10-15-12-17-16-8-4-5-9-18(16)22(20(17)24-15)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,21,23).
What are the key properties of 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide?
3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide is sourced from PubChem (CID 57128496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).