2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide

C11H13Cl2NO2S — CID 83029637

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-7(15)5-14-11(16)6-17-10-4-8(12)2-3-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyMPVAYSJMHCCQMB-ZETCQYMHSA-N
MW294.20 g/mol
LogP2.58
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide (PubChem CID 83029637) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
PubChem CID83029637
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
SMILESC[C@H](O)CNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-7(15)5-14-11(16)6-17-10-4-8(12)2-3-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyMPVAYSJMHCCQMB-ZETCQYMHSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771516
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107365
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
CID 115628169
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43238522

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide (CID 83029637) is 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide is C[C@H](O)CNC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide?
The InChIKey is MPVAYSJMHCCQMB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-7(15)5-14-11(16)6-17-10-4-8(12)2-3-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide has a molecular weight of 294.20 g/mol, XLogP of 2.58, 5 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-[(2S)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 83029637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).