methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate

C20H23N3O3S — CID 46446775

IUPACmethyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCC(c2ccsc2)N(C)C)c2ccccc12
InChIInChI=1S/C20H23N3O3S/c1-22(2)18(14-8-9-27-13-14)10-21-19(24)12-23-11-16(20(25)26-3)15-6-4-5-7-17(15)23/h4-9,11,13,18H,10,12H2,1-3H3,(H,21,24)
InChIKeyIVLYKVMMTBMHQT-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.91
Rot. Bonds7

About methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate (PubChem CID 46446775) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate
PubChem CID46446775
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Namemethyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCC(c2ccsc2)N(C)C)c2ccccc12
InChIInChI=1S/C20H23N3O3S/c1-22(2)18(14-8-9-27-13-14)10-21-19(24)12-23-11-16(20(25)26-3)15-6-4-5-7-17(15)23/h4-9,11,13,18H,10,12H2,1-3H3,(H,21,24)
InChIKeyIVLYKVMMTBMHQT-UHFFFAOYSA-N
XLogP2.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30856713
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
methyl 1-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]indole-3-carboxylate
CID 46434107
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 32631997
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate (CID 46446775) is methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)NCC(c2ccsc2)N(C)C)c2ccccc12.
What is the InChIKey of methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate?
The InChIKey is IVLYKVMMTBMHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-22(2)18(14-8-9-27-13-14)10-21-19(24)12-23-11-16(20(25)26-3)15-6-4-5-7-17(15)23/h4-9,11,13,18H,10,12H2,1-3H3,(H,21,24).
What are the key properties of methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 46446775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).