2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

C19H21NO3S — CID 66812685

IUPAC2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(OC(=Cc2cccs2)C(=O)N(C)C)c2c1CCC2
InChIInChI=1S/C19H21NO3S/c1-20(2)19(21)18(12-13-6-5-11-24-13)23-17-10-9-16(22-3)14-7-4-8-15(14)17/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyNWVVCDQKLSUWIW-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.75
Rot. Bonds5

About 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 66812685) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID66812685
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(OC(=Cc2cccs2)C(=O)N(C)C)c2c1CCC2
InChIInChI=1S/C19H21NO3S/c1-20(2)19(21)18(12-13-6-5-11-24-13)23-17-10-9-16(22-3)14-7-4-8-15(14)17/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyNWVVCDQKLSUWIW-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
3-[4-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-3-thiophen-2-ylpyrazol-1-yl]propanoic acid
CID 66812422
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 2778338
methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
(E)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 32629215
3,4-dimethoxy-N-[(Z)-3-oxo-3-[[(2R)-1-phenoxypropan-2-yl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100602166
methyl 2-(thiophen-2-ylmethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 968740
N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5442635
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (CID 66812685) is 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is COc1ccc(OC(=Cc2cccs2)C(=O)N(C)C)c2c1CCC2.
What is the InChIKey of 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NWVVCDQKLSUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-20(2)19(21)18(12-13-6-5-11-24-13)23-17-10-9-16(22-3)14-7-4-8-15(14)17/h5-6,9-12H,4,7-8H2,1-3H3.
What are the key properties of 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 343.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 66812685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).