2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide

C11H14ClNO2S — CID 43391209

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-8(14)6-13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHZRWUIIJMFWBGB-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.93
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide (PubChem CID 43391209) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
PubChem CID43391209
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-8(14)6-13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHZRWUIIJMFWBGB-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 83031881
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide (CID 43391209) is 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The InChIKey is HZRWUIIJMFWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8(14)6-13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide has a molecular weight of 259.76 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 43391209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).