N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C18H18N2O3S — CID 124605984

IUPACN-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18N2O3S/c1-10(11-2-3-14-12(6-11)8-17(21)20-14)19-18(22)16-7-13-9-23-5-4-15(13)24-16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyZZCKAMVGHMQEMB-SNVBAGLBSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds3

About N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 124605984) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID124605984
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18N2O3S/c1-10(11-2-3-14-12(6-11)8-17(21)20-14)19-18(22)16-7-13-9-23-5-4-15(13)24-16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyZZCKAMVGHMQEMB-SNVBAGLBSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 166228682
5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
CID 71940657
(3S)-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]morpholine-3-carboxamide
CID 129414950
3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 51118129
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-phenylfuran-2-carboxamide
CID 154774789
2-(aminomethyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119736222
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
1-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296412
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 124605984) is N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is ZZCKAMVGHMQEMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10(11-2-3-14-12(6-11)8-17(21)20-14)19-18(22)16-7-13-9-23-5-4-15(13)24-16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,22)(H,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 124605984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).