N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C22H20N2O3S — CID 3186964

IUPACN-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C22H20N2O3S/c1-15-13-16-7-2-4-9-18(16)24(15)21(25)14-28-20-11-5-3-8-17(20)23-22(26)19-10-6-12-27-19/h2-12,15H,13-14H2,1H3,(H,23,26)
InChIKeyHFRJKFNJQFTMIW-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.60
Rot. Bonds5

About N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 3186964) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID3186964
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C22H20N2O3S/c1-15-13-16-7-2-4-9-18(16)24(15)21(25)14-28-20-11-5-3-8-17(20)23-22(26)19-10-6-12-27-19/h2-12,15H,13-14H2,1H3,(H,23,26)
InChIKeyHFRJKFNJQFTMIW-UHFFFAOYSA-N
XLogP4.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803347
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
3-methyl-N-[2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylphenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 98095425
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione
CID 108950845
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 7734307
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-phenylpropylsulfanyl)ethanone
CID 5149446
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7471925
(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19916387
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 3186964) is N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is CC1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is HFRJKFNJQFTMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15-13-16-7-2-4-9-18(16)24(15)21(25)14-28-20-11-5-3-8-17(20)23-22(26)19-10-6-12-27-19/h2-12,15H,13-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 3186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).