2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide

C16H15BrN2O4S — CID 24527884

IUPAC2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c1-10(24-15-6-4-3-5-12(15)17)16(20)18-13-9-11(19(21)22)7-8-14(13)23-2/h3-10H,1-2H3,(H,18,20)
InChIKeyHNGIDOJPXOERHF-UHFFFAOYSA-N
MW411.28 g/mol
LogP4.49
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide

2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 24527884) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID24527884
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c1-10(24-15-6-4-3-5-12(15)17)16(20)18-13-9-11(19(21)22)7-8-14(13)23-2/h3-10H,1-2H3,(H,18,20)
InChIKeyHNGIDOJPXOERHF-UHFFFAOYSA-N
XLogP4.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide 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

(2S)-2-(4-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2665494
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18073888
N-(2-methoxy-5-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4016198
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
N-(2-methoxy-5-nitrophenyl)-2-(1-propan-2-ylimidazol-2-yl)sulfanylpropanamide
CID 17420061
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2586033
(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2370369
(2S)-N-(2-methoxy-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7965057
(2S)-N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2661086
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide (CID 24527884) is 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is HNGIDOJPXOERHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c1-10(24-15-6-4-3-5-12(15)17)16(20)18-13-9-11(19(21)22)7-8-14(13)23-2/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide?
2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 411.28 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 24527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).