N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide

C16H16N2O3S — CID 39158622

IUPACN-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1
InChIInChI=1S/C16H16N2O3S/c1-20-13-5-7-14(8-6-13)21-10-15(19)18-12-4-2-3-11(9-12)16(17)22/h2-9H,10H2,1H3,(H2,17,22)(H,18,19)
InChIKeyLSANFUGUXVOOPX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.35
Rot. Bonds6

About N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide

N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 39158622) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
PubChem CID39158622
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1
InChIInChI=1S/C16H16N2O3S/c1-20-13-5-7-14(8-6-13)21-10-15(19)18-12-4-2-3-11(9-12)16(17)22/h2-9H,10H2,1H3,(H2,17,22)(H,18,19)
InChIKeyLSANFUGUXVOOPX-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide (CID 39158622) is N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is LSANFUGUXVOOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-13-5-7-14(8-6-13)21-10-15(19)18-12-4-2-3-11(9-12)16(17)22/h2-9H,10H2,1H3,(H2,17,22)(H,18,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide?
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 39158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).