2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide

C17H25N3O2S — CID 119425787

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)11-23-13(2)17(22)20-15-4-3-9-18-10-15/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyASNDEDVLDDMGNL-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide (PubChem CID 119425787) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
PubChem CID119425787
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)11-23-13(2)17(22)20-15-4-3-9-18-10-15/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyASNDEDVLDDMGNL-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
CID 82182072
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119590006
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301686
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
2-[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9180108
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide (CID 119425787) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide is Cc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide?
The InChIKey is ASNDEDVLDDMGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)11-23-13(2)17(22)20-15-4-3-9-18-10-15/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide has a molecular weight of 335.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119425787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).