2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide

C16H15BrN2O2S — CID 126032735

IUPAC2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br
InChIInChI=1S/C16H15BrN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyJDAXTCQMFDYNRC-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.42
Rot. Bonds6

About 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide

2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 126032735) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID126032735
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br
InChIInChI=1S/C16H15BrN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyJDAXTCQMFDYNRC-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]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

2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8969240
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 4184529
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315867
2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135627874
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide (CID 126032735) is 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br.
What is the InChIKey of 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is JDAXTCQMFDYNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide?
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 379.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 126032735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).