N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

C16H16N2O3S — CID 4939160

IUPACN-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(O)c2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-14-7-5-11(6-8-14)9-15(20)18-16(22)17-12-3-2-4-13(19)10-12/h2-8,10,19H,9H2,1H3,(H2,17,18,20,22)
InChIKeyNCUADXROOBHZJD-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 4939160) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID4939160
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(O)c2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-14-7-5-11(6-8-14)9-15(20)18-16(22)17-12-3-2-4-13(19)10-12/h2-8,10,19H,9H2,1H3,(H2,17,18,20,22)
InChIKeyNCUADXROOBHZJD-UHFFFAOYSA-N
XLogP2.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.46
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

2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
N-[3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]hexanamide
CID 26161849
2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142296
N-[(3-hydroxyphenyl)carbamothioyl]propanamide
CID 4939152
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methylbutanamide
CID 17194244
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 4939160) is N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)Nc2cccc(O)c2)cc1.
What is the InChIKey of N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NCUADXROOBHZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-14-7-5-11(6-8-14)9-15(20)18-16(22)17-12-3-2-4-13(19)10-12/h2-8,10,19H,9H2,1H3,(H2,17,18,20,22).
What are the key properties of N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4939160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).