2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide

C16H15ClN2O3S — CID 1014420

IUPAC2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C16H15ClN2O3S/c17-12-4-6-14(7-5-12)22-10-15(21)19-16(23)18-13-3-1-2-11(8-13)9-20/h1-8,20H,9-10H2,(H2,18,19,21,23)
InChIKeyBMMGOEDCTKCMSN-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide

2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide (PubChem CID 1014420) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
PubChem CID1014420
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C16H15ClN2O3S/c17-12-4-6-14(7-5-12)22-10-15(21)19-16(23)18-13-3-1-2-11(8-13)9-20/h1-8,20H,9-10H2,(H2,18,19,21,23)
InChIKeyBMMGOEDCTKCMSN-UHFFFAOYSA-N
XLogP2.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393533
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-(2,4-dibromo-6-methylphenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 3362727
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
4-(4-chlorophenoxy)-N-[(3-methoxyphenyl)carbamothioyl]butanamide
CID 19188819
2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 4632520
2-(2,5-dichlorophenoxy)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60703773

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide (CID 1014420) is 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide is O=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc(CO)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide?
The InChIKey is BMMGOEDCTKCMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-12-4-6-14(7-5-12)22-10-15(21)19-16(23)18-13-3-1-2-11(8-13)9-20/h1-8,20H,9-10H2,(H2,18,19,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide?
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide has a molecular weight of 350.83 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 1014420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).