N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide

C17H18N2OS — CID 5080692

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc2cc(CNC(=O)Cc3cccs3)ccc2n1C
InChIInChI=1S/C17H18N2OS/c1-12-8-14-9-13(5-6-16(14)19(12)2)11-18-17(20)10-15-4-3-7-21-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyFMLVSSBTFBAYTH-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.41
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 5080692) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID5080692
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc2cc(CNC(=O)Cc3cccs3)ccc2n1C
InChIInChI=1S/C17H18N2OS/c1-12-8-14-9-13(5-6-16(14)19(12)2)11-18-17(20)10-15-4-3-7-21-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyFMLVSSBTFBAYTH-UHFFFAOYSA-N
XLogP3.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide (CID 5080692) is N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide is Cc1cc2cc(CNC(=O)Cc3cccs3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is FMLVSSBTFBAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-8-14-9-13(5-6-16(14)19(12)2)11-18-17(20)10-15-4-3-7-21-15/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5080692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).