N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C12H13ClN2O2S — CID 581511

IUPACN-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2S/c13-8-1-3-9(4-2-8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyPKOSTNQTHPKEQK-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.90
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 581511) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID581511
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2S/c13-8-1-3-9(4-2-8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyPKOSTNQTHPKEQK-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2992022
(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139557
Ethyl 6-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxothiomorpholine-3-carboxylate
CID 581637
3-(2-Amino-ethylsulfanyl)-1-(3,4-dichloro-phenyl)-pyrrolidine-2,5-dione
CID 17385934
N-(4-chlorophenyl)thiomorpholine-4-carboxamide
CID 757063
N-(3-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 666797
S-{2-[(4-chlorophenyl)amino]-2-oxoethyl} thiocarbamate
CID 873475
N-(4-chlorophenyl)-2-(cyanomethylsulfanyl)acetamide
CID 1631413
N-(4-Chloro-phenyl)-2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-ylsulfanyl)-acetamide
CID 2853860
N-(3,5-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2978829
N-(3-chloro-4-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161809
(3R)-N-(3-chlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 162659228

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 581511) is N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is O=C(CC1SCCNC1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is PKOSTNQTHPKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-8-1-3-9(4-2-8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 284.77 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 581511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).