1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide

C19H22N2OS — CID 86817217

IUPAC1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)CCN2C)Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c1-14(23-17-6-4-3-5-7-17)13-20-19(22)16-8-9-18-15(12-16)10-11-21(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyNAOJQZXNEQYDQG-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.59
Rot. Bonds5

About 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide

1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 86817217) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide
PubChem CID86817217
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)CCN2C)Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c1-14(23-17-6-4-3-5-7-17)13-20-19(22)16-8-9-18-15(12-16)10-11-21(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyNAOJQZXNEQYDQG-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
CID 110744715
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90582278
1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474
4-cyano-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzamide
CID 90582148

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide (CID 86817217) is 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide is CC(CNC(=O)c1ccc2c(c1)CCN2C)Sc1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is NAOJQZXNEQYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(23-17-6-4-3-5-7-17)13-20-19(22)16-8-9-18-15(12-16)10-11-21(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide?
1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylsulfanylpropyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 86817217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).