2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone

C20H18N2OS2 — CID 46632365

IUPAC2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
SMILESO=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCc2ccccc21
InChIInChI=1S/C20H18N2OS2/c23-19(22-11-7-14-5-1-2-6-16(14)22)18-15-8-12-24-13-17(15)25-20(18)21-9-3-4-10-21/h1-6,9-10H,7-8,11-13H2
InChIKeyPYJRAEIZLKHTDE-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.53
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone

2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone (PubChem CID 46632365) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
PubChem CID46632365
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
SMILESO=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCc2ccccc21
InChIInChI=1S/C20H18N2OS2/c23-19(22-11-7-14-5-1-2-6-16(14)22)18-15-8-12-24-13-17(15)25-20(18)21-9-3-4-10-21/h1-6,9-10H,7-8,11-13H2
InChIKeyPYJRAEIZLKHTDE-UHFFFAOYSA-N
XLogP4.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
CID 46561493
N-(2-acetylphenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 46671123
N-[4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
CID 43062699
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 31786095
methyl 2-[[3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoyl]amino]acetate
CID 55750450
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone (CID 46632365) is 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone is O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone?
The InChIKey is PYJRAEIZLKHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c23-19(22-11-7-14-5-1-2-6-16(14)22)18-15-8-12-24-13-17(15)25-20(18)21-9-3-4-10-21/h1-6,9-10H,7-8,11-13H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone?
2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone is sourced from PubChem (CID 46632365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).