(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

C18H20Cl2N4OS — CID 94472080

IUPAC(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESC[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20Cl2N4OS/c1-12(26-16-11-13(19)3-4-15(16)20)17(25)23-14-5-9-24(10-6-14)18-21-7-2-8-22-18/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyXJCKOUAMTYITBT-GFCCVEGCSA-N
MW411.36 g/mol
LogP4.05
Rot. Bonds5

About (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (PubChem CID 94472080) has the molecular formula C18H20Cl2N4OS and a molecular weight of 411.36 g/mol. Its IUPAC name is (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
PubChem CID94472080
Molecular FormulaC18H20Cl2N4OS
Molecular Weight411.36 g/mol
Exact Mass410.07
IUPAC Name(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESC[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20Cl2N4OS/c1-12(26-16-11-13(19)3-4-15(16)20)17(25)23-14-5-9-24(10-6-14)18-21-7-2-8-22-18/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyXJCKOUAMTYITBT-GFCCVEGCSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
2-(2,5-dichlorophenyl)sulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853656
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (CID 94472080) is (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is XJCKOUAMTYITBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N4OS/c1-12(26-16-11-13(19)3-4-15(16)20)17(25)23-14-5-9-24(10-6-14)18-21-7-2-8-22-18/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 411.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 94472080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).