2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide

C19H22N2OS — CID 95057098

IUPAC2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccn1
InChIInChI=1S/C19H22N2OS/c1-2-23-18-12-15(10-11-20-18)19(22)21-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,2,5,7-8,13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyIFDOOHGDLCBXST-MRXNPFEDSA-N
MW326.47 g/mol
LogP4.04
Rot. Bonds5

About 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide

2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide (PubChem CID 95057098) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide
PubChem CID95057098
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccn1
InChIInChI=1S/C19H22N2OS/c1-2-23-18-12-15(10-11-20-18)19(22)21-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,2,5,7-8,13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyIFDOOHGDLCBXST-MRXNPFEDSA-N
XLogP4.04
TPSA41.99 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46402452
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
1-(2-methoxyethyl)-6-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 47049078
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide (CID 95057098) is 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide is CCSc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide?
The InChIKey is IFDOOHGDLCBXST-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-2-23-18-12-15(10-11-20-18)19(22)21-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,2,5,7-8,13H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide?
2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 95057098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).