N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide

C15H13BrClN3O2S — CID 55496429

IUPACN-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide
SMILESO=C(CSc1ncccc1Cl)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClN3O2S/c16-10-4-1-2-6-12(10)20-13(21)8-19-14(22)9-23-15-11(17)5-3-7-18-15/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyPFEDGFBJSFQTRF-UHFFFAOYSA-N
MW414.71 g/mol
LogP3.34
Rot. Bonds6

About N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide (PubChem CID 55496429) has the molecular formula C15H13BrClN3O2S and a molecular weight of 414.71 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide
PubChem CID55496429
Molecular FormulaC15H13BrClN3O2S
Molecular Weight414.71 g/mol
Exact Mass412.96
IUPAC NameN-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide
SMILESO=C(CSc1ncccc1Cl)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClN3O2S/c16-10-4-1-2-6-12(10)20-13(21)8-19-14(22)9-23-15-11(17)5-3-7-18-15/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyPFEDGFBJSFQTRF-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.71
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]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

2-[2-(2-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4206792
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 757778
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 24601940
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 51258941
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 134012279
N-(2-bromophenyl)-2-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 27940963
2-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 55397991
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
N-(2-bromophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]acetamide
CID 26570245

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide (CID 55496429) is N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide is O=C(CSc1ncccc1Cl)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is PFEDGFBJSFQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O2S/c16-10-4-1-2-6-12(10)20-13(21)8-19-14(22)9-23-15-11(17)5-3-7-18-15/h1-7H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 414.71 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 55496429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).