2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide

C15H13ClN2O2S — CID 28547111

IUPAC2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c16-12-3-1-2-4-13(12)18-14(19)9-20-11-7-5-10(6-8-11)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyXAEBSGOGNJNAEO-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide

2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide (PubChem CID 28547111) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
PubChem CID28547111
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c16-12-3-1-2-4-13(12)18-14(19)9-20-11-7-5-10(6-8-11)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyXAEBSGOGNJNAEO-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenoxy)-N-(3-chloro-2-pyridinyl)acetamide
CID 103094365
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
2-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
2-(4-acetylphenoxy)-N-[2-(2-chlorophenoxy)phenyl]acetamide
CID 26764312
1-[(4-carbamothioylphenyl)methyl]-3-(2-chlorophenyl)urea
CID 62311627
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
N-(2-chlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 18808430

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide (CID 28547111) is 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide is NC(=S)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide?
The InChIKey is XAEBSGOGNJNAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-12-3-1-2-4-13(12)18-14(19)9-20-11-7-5-10(6-8-11)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide?
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide has a molecular weight of 320.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 28547111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).