3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide

C18H19BrN2O2S — CID 27828795

IUPAC3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCCSc1ccccc1
InChIInChI=1S/C18H19BrN2O2S/c19-15-7-4-6-14(12-15)18(23)21-13-17(22)20-10-5-11-24-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,13H2,(H,20,22)(H,21,23)
InChIKeyMBRAGCDYSRSKJW-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.48
Rot. Bonds8

About 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide

3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide (PubChem CID 27828795) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
PubChem CID27828795
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCCSc1ccccc1
InChIInChI=1S/C18H19BrN2O2S/c19-15-7-4-6-14(12-15)18(23)21-13-17(22)20-10-5-11-24-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,13H2,(H,20,22)(H,21,23)
InChIKeyMBRAGCDYSRSKJW-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide 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-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide
CID 38031404
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196
3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
CID 18120944
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220288
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide (CID 27828795) is 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCCCSc1ccccc1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide?
The InChIKey is MBRAGCDYSRSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c19-15-7-4-6-14(12-15)18(23)21-13-17(22)20-10-5-11-24-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,13H2,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide?
3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide has a molecular weight of 407.33 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide is sourced from PubChem (CID 27828795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).