N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide

C21H22N2OS2 — CID 27842678

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C21H22N2OS2/c24-20(10-9-16-14-22-19-8-2-1-7-18(16)19)23-17-6-3-5-15(13-17)21-25-11-4-12-26-21/h1-3,5-8,13-14,21-22H,4,9-12H2,(H,23,24)
InChIKeyRQXWNHNXPGUJIU-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.61
Rot. Bonds5

About N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide

N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 27842678) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID27842678
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C21H22N2OS2/c24-20(10-9-16-14-22-19-8-2-1-7-18(16)19)23-17-6-3-5-15(13-17)21-25-11-4-12-26-21/h1-3,5-8,13-14,21-22H,4,9-12H2,(H,23,24)
InChIKeyRQXWNHNXPGUJIU-UHFFFAOYSA-N
XLogP5.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26856264
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 27842678) is N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is RQXWNHNXPGUJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c24-20(10-9-16-14-22-19-8-2-1-7-18(16)19)23-17-6-3-5-15(13-17)21-25-11-4-12-26-21/h1-3,5-8,13-14,21-22H,4,9-12H2,(H,23,24).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 382.55 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 27842678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).