N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide

C17H18N2OS — CID 110731525

IUPACN-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCn1cc(CCNC(=O)Cc2cccs2)c2ccccc21
InChIInChI=1S/C17H18N2OS/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-18-17(20)11-14-5-4-10-21-14/h2-7,10,12H,8-9,11H2,1H3,(H,18,20)
InChIKeyKJPPSCVPMHDIDC-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110731525) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110731525
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCn1cc(CCNC(=O)Cc2cccs2)c2ccccc21
InChIInChI=1S/C17H18N2OS/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-18-17(20)11-14-5-4-10-21-14/h2-7,10,12H,8-9,11H2,1H3,(H,18,20)
InChIKeyKJPPSCVPMHDIDC-UHFFFAOYSA-N
XLogP3.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 47078967
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110731525) is N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide is Cn1cc(CCNC(=O)Cc2cccs2)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is KJPPSCVPMHDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-19-12-13(15-6-2-3-7-16(15)19)8-9-18-17(20)11-14-5-4-10-21-14/h2-7,10,12H,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).