2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

C23H27N3OS — CID 60576162

IUPAC2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCC1CCCN(CC(C)NC(=O)c2ccccc2Sc2ccccc2C#N)C1
InChIInChI=1S/C23H27N3OS/c1-17-8-7-13-26(15-17)16-18(2)25-23(27)20-10-4-6-12-22(20)28-21-11-5-3-9-19(21)14-24/h3-6,9-12,17-18H,7-8,13,15-16H2,1-2H3,(H,25,27)
InChIKeyXDOUBBVQLHPLIS-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.56
Rot. Bonds6

About 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (PubChem CID 60576162) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
PubChem CID60576162
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCC1CCCN(CC(C)NC(=O)c2ccccc2Sc2ccccc2C#N)C1
InChIInChI=1S/C23H27N3OS/c1-17-8-7-13-26(15-17)16-18(2)25-23(27)20-10-4-6-12-22(20)28-21-11-5-3-9-19(21)14-24/h3-6,9-12,17-18H,7-8,13,15-16H2,1-2H3,(H,25,27)
InChIKeyXDOUBBVQLHPLIS-UHFFFAOYSA-N
XLogP4.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]benzamide
CID 60575687
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55742348
2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60572108
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930
5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 98750515
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762500
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7414672
2-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]sulfanylbenzonitrile
CID 1313475

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (CID 60576162) is 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is CC1CCCN(CC(C)NC(=O)c2ccccc2Sc2ccccc2C#N)C1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The InChIKey is XDOUBBVQLHPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-17-8-7-13-26(15-17)16-18(2)25-23(27)20-10-4-6-12-22(20)28-21-11-5-3-9-19(21)14-24/h3-6,9-12,17-18H,7-8,13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide has a molecular weight of 393.56 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 60576162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).