N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide

C14H15ClN2O3S — CID 4550903

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-8-3-4-10(5-11(8)15)16-12(18)6-17-13(19)7-21-9(2)14(17)20/h3-5,9H,6-7H2,1-2H3,(H,16,18)
InChIKeyYYTTYYWQLVGNIZ-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.08
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (PubChem CID 4550903) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
PubChem CID4550903
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-8-3-4-10(5-11(8)15)16-12(18)6-17-13(19)7-21-9(2)14(17)20/h3-5,9H,6-7H2,1-2H3,(H,16,18)
InChIKeyYYTTYYWQLVGNIZ-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148393
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3530495
N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148369
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 2666329
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148419
N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878085
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82897547
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148399
N-(3-chloro-4-methylphenyl)-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171691578

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (CID 4550903) is N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The InChIKey is YYTTYYWQLVGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-8-3-4-10(5-11(8)15)16-12(18)6-17-13(19)7-21-9(2)14(17)20/h3-5,9H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide has a molecular weight of 326.81 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is sourced from PubChem (CID 4550903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).