3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide

C17H20N4OS — CID 91765313

IUPAC3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
SMILESCSc1ncc(CNC(=O)CCc2c[nH]c3ccccc23)n1C
InChIInChI=1S/C17H20N4OS/c1-21-13(11-20-17(21)23-2)10-19-16(22)8-7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,22)
InChIKeyGPMVMGGTVWWZEV-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.87
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide

3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide (PubChem CID 91765313) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
PubChem CID91765313
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
SMILESCSc1ncc(CNC(=O)CCc2c[nH]c3ccccc23)n1C
InChIInChI=1S/C17H20N4OS/c1-21-13(11-20-17(21)23-2)10-19-16(22)8-7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,22)
InChIKeyGPMVMGGTVWWZEV-UHFFFAOYSA-N
XLogP2.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19330998
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19296648
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide (CID 91765313) is 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide is CSc1ncc(CNC(=O)CCc2c[nH]c3ccccc23)n1C.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide?
The InChIKey is GPMVMGGTVWWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-21-13(11-20-17(21)23-2)10-19-16(22)8-7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91765313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).