methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate

C15H14N2O3S — CID 80563427

IUPACmethyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)13-12(6-7-21-13)17-14(18)10-8-16-11-5-3-2-4-9(10)11/h2-7,10,16H,8H2,1H3,(H,17,18)
InChIKeyAVCWUBADCVINSV-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.68
Rot. Bonds3

About methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate

methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate (PubChem CID 80563427) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate
PubChem CID80563427
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Namemethyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)13-12(6-7-21-13)17-14(18)10-8-16-11-5-3-2-4-9(10)11/h2-7,10,16H,8H2,1H3,(H,17,18)
InChIKeyAVCWUBADCVINSV-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758
methyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiophene-2-carboxylate
CID 17413130
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565893
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate (CID 80563427) is methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CNc2ccccc21.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate?
The InChIKey is AVCWUBADCVINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-15(19)13-12(6-7-21-13)17-14(18)10-8-16-11-5-3-2-4-9(10)11/h2-7,10,16H,8H2,1H3,(H,17,18).
What are the key properties of methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate?
methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 80563427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).