N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide

C18H18N2O2S — CID 71983052

IUPACN-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
SMILESCS(=O)CC(NC(=O)c1cccc2cc[nH]c12)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-23(22)12-16(13-6-3-2-4-7-13)20-18(21)15-9-5-8-14-10-11-19-17(14)15/h2-11,16,19H,12H2,1H3,(H,20,21)
InChIKeyILPDHAZDUALKKH-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.02
Rot. Bonds5

About N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide

N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide (PubChem CID 71983052) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
PubChem CID71983052
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
SMILESCS(=O)CC(NC(=O)c1cccc2cc[nH]c12)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-23(22)12-16(13-6-3-2-4-7-13)20-18(21)15-9-5-8-14-10-11-19-17(14)15/h2-11,16,19H,12H2,1H3,(H,20,21)
InChIKeyILPDHAZDUALKKH-UHFFFAOYSA-N
XLogP3.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 119037635
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide
CID 97086326
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide (CID 71983052) is N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide is CS(=O)CC(NC(=O)c1cccc2cc[nH]c12)c1ccccc1.
What is the InChIKey of N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide?
The InChIKey is ILPDHAZDUALKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-23(22)12-16(13-6-3-2-4-7-13)20-18(21)15-9-5-8-14-10-11-19-17(14)15/h2-11,16,19H,12H2,1H3,(H,20,21).
What are the key properties of N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide?
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 71983052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).