(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide

C15H13Cl2NOS — CID 2501549

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-9-11(16)7-8-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyMZHZERADKDISLJ-SNVBAGLBSA-N
MW326.25 g/mol
LogP5.11
Rot. Bonds4

About (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide

(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide (PubChem CID 2501549) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
PubChem CID2501549
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-9-11(16)7-8-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyMZHZERADKDISLJ-SNVBAGLBSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
3-chloro-N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23097832
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906417
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095314
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908145
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide (CID 2501549) is (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is MZHZERADKDISLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-9-11(16)7-8-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 326.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2501549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).