2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide

C17H17ClN2O2S — CID 17098382

IUPAC2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2S/c1-2-22-15-5-3-4-14(11-15)19-17(23)20-16(21)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,21,23)
InChIKeyXWJHGTZQMNMVIS-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide (PubChem CID 17098382) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
PubChem CID17098382
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2S/c1-2-22-15-5-3-4-14(11-15)19-17(23)20-16(21)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,21,23)
InChIKeyXWJHGTZQMNMVIS-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.79
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-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide
CID 26160978
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
CID 17095062
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
CID 4943277
2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142296
4-(4-chlorophenoxy)-N-[(3-methoxyphenyl)carbamothioyl]butanamide
CID 19188819
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide (CID 17098382) is 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide is CCOc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide?
The InChIKey is XWJHGTZQMNMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-2-22-15-5-3-4-14(11-15)19-17(23)20-16(21)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17098382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).