N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide

C15H13BrN2O2S — CID 28512642

IUPACN-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
SMILESNC(=S)c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O2S/c16-11-4-6-12(7-5-11)18-14(19)9-20-13-3-1-2-10(8-13)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyCWZRCMZCPAHWMX-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.10
Rot. Bonds5

About N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide

N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide (PubChem CID 28512642) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
PubChem CID28512642
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
SMILESNC(=S)c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O2S/c16-11-4-6-12(7-5-11)18-14(19)9-20-13-3-1-2-10(8-13)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyCWZRCMZCPAHWMX-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.10
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-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
methyl 2-[4-[[2-(3-carbamoylphenoxy)acetyl]amino]phenoxy]acetate
CID 55911984
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide (CID 28512642) is N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide is NC(=S)c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide?
The InChIKey is CWZRCMZCPAHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-11-4-6-12(7-5-11)18-14(19)9-20-13-3-1-2-10(8-13)15(17)21/h1-8H,9H2,(H2,17,21)(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide?
N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide has a molecular weight of 365.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide is sourced from PubChem (CID 28512642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).