N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide

C15H14N2O2S — CID 2374481

IUPACN-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=S)NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O2S/c1-10-9-11-5-2-3-6-12(11)17(10)15(20)16-14(18)13-7-4-8-19-13/h2-8,10H,9H2,1H3,(H,16,18,20)/t10-/m0/s1
InChIKeyJZDMADFZMXFNLP-JTQLQIEISA-N
MW286.36 g/mol
LogP2.75
Rot. Bonds1

About N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide

N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide (PubChem CID 2374481) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
PubChem CID2374481
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=S)NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O2S/c1-10-9-11-5-2-3-6-12(11)17(10)15(20)16-14(18)13-7-4-8-19-13/h2-8,10H,9H2,1H3,(H,16,18,20)/t10-/m0/s1
InChIKeyJZDMADFZMXFNLP-JTQLQIEISA-N
XLogP2.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 3186964
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 7734307
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione
CID 108950845
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803347
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
CID 46800236
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
methyl 6-[[(2R)-2-methyl-2,3-dihydroindole-1-carbothioyl]amino]hexanoate
CID 8619571
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide (CID 2374481) is N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide is C[C@H]1Cc2ccccc2N1C(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide?
The InChIKey is JZDMADFZMXFNLP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-9-11-5-2-3-6-12(11)17(10)15(20)16-14(18)13-7-4-8-19-13/h2-8,10H,9H2,1H3,(H,16,18,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide?
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide is sourced from PubChem (CID 2374481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).