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

C12H13ClN2O2S — CID 666338

IUPACN-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c13-8-2-1-3-9(6-8)15-11(16)7-10-12(17)14-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyNOVSTNSQVOXPFL-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.90
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 666338) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID666338
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c13-8-2-1-3-9(6-8)15-11(16)7-10-12(17)14-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyNOVSTNSQVOXPFL-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-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 581511
1-(3-Chlorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 2855815
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
S-2-(3-chlorophenylamino)-2-oxoethyl carbamothioate
CID 873501
3-(2-Amino-ethylsulfanyl)-1-(3,4-dichloro-phenyl)-pyrrolidine-2,5-dione
CID 17385934
N-(3-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 666797
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
2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 3943573
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 162643926

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 666338) is N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is O=C(CC1SCCNC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is NOVSTNSQVOXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-8-2-1-3-9(6-8)15-11(16)7-10-12(17)14-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16).
What are the key properties of N-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(3-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-(3-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 666338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).