2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide

C13H16Cl2N2OS — CID 119452175

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCNC1
InChIInChI=1S/C13H16Cl2N2OS/c1-8(13(18)17-10-4-5-16-7-10)19-12-6-9(14)2-3-11(12)15/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyPJMOFXJGKZOCHG-UHFFFAOYSA-N
MW319.26 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide

2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119452175) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119452175
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCNC1
InChIInChI=1S/C13H16Cl2N2OS/c1-8(13(18)17-10-4-5-16-7-10)19-12-6-9(14)2-3-11(12)15/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyPJMOFXJGKZOCHG-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
2-cyclopropyl-2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]acetic acid
CID 119213243
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide (CID 119452175) is 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NC1CCNC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is PJMOFXJGKZOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c1-8(13(18)17-10-4-5-16-7-10)19-12-6-9(14)2-3-11(12)15/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 319.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).