N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide

C21H20N2O3S — CID 72717963

IUPACN-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)[nH]c2c1
InChIInChI=1S/C21H20N2O3S/c1-25-17-5-4-16-11-20(22-19(16)12-17)21(24)23(13-15-7-9-26-14-15)8-6-18-3-2-10-27-18/h2-5,7,9-12,14,22H,6,8,13H2,1H3
InChIKeyXDFBMMZEXVFSJD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.72
Rot. Bonds7

About N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide

N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide (PubChem CID 72717963) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
PubChem CID72717963
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)[nH]c2c1
InChIInChI=1S/C21H20N2O3S/c1-25-17-5-4-16-11-20(22-19(16)12-17)21(24)23(13-15-7-9-26-14-15)8-6-18-3-2-10-27-18/h2-5,7,9-12,14,22H,6,8,13H2,1H3
InChIKeyXDFBMMZEXVFSJD-UHFFFAOYSA-N
XLogP4.72
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 134003031
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265
6-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 33261446
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide (CID 72717963) is N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)[nH]c2c1.
What is the InChIKey of N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is XDFBMMZEXVFSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-25-17-5-4-16-11-20(22-19(16)12-17)21(24)23(13-15-7-9-26-14-15)8-6-18-3-2-10-27-18/h2-5,7,9-12,14,22H,6,8,13H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide?
N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 72717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).