6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide

C18H18N2O2S — CID 134003031

IUPAC6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H18N2O2S/c1-3-8-20(12-15-5-4-9-23-15)18(21)17-10-13-6-7-14(22-2)11-16(13)19-17/h3-7,9-11,19H,1,8,12H2,2H3
InChIKeyUUOQWQRHEHHPFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.07
Rot. Bonds6

About 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide

6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 134003031) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID134003031
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H18N2O2S/c1-3-8-20(12-15-5-4-9-23-15)18(21)17-10-13-6-7-14(22-2)11-16(13)19-17/h3-7,9-11,19H,1,8,12H2,2H3
InChIKeyUUOQWQRHEHHPFY-UHFFFAOYSA-N
XLogP4.07
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 72717963
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265
N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4976318
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 4320403
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 32647564
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-prop-2-enylbenzamide
CID 4032693
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-prop-2-enylacetamide
CID 42776382
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide (CID 134003031) is 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cc2ccc(OC)cc2[nH]1.
What is the InChIKey of 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is UUOQWQRHEHHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-8-20(12-15-5-4-9-23-15)18(21)17-10-13-6-7-14(22-2)11-16(13)19-17/h3-7,9-11,19H,1,8,12H2,2H3.
What are the key properties of 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide?
6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 134003031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).