N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide

C13H15BrN2O2S — CID 47309436

IUPACN-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide
SMILESC=CCSCC(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2S/c1-2-7-19-9-13(18)15-8-12(17)16-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,18)(H,16,17)
InChIKeyAEJBQMHMFZLCMF-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.42
Rot. Bonds7

About N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide

N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide (PubChem CID 47309436) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide
PubChem CID47309436
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC NameN-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide
SMILESC=CCSCC(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2S/c1-2-7-19-9-13(18)15-8-12(17)16-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,18)(H,16,17)
InChIKeyAEJBQMHMFZLCMF-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187612
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide (CID 47309436) is N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide is C=CCSCC(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide?
The InChIKey is AEJBQMHMFZLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-2-7-19-9-13(18)15-8-12(17)16-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,18)(H,16,17).
What are the key properties of N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide?
N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide has a molecular weight of 343.25 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 47309436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).