3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide

C19H16BrN3O2S — CID 170977062

IUPAC3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(NSc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C19H16BrN3O2S/c1-25-18-10-7-16(12-21-18)22-19(24)13-3-2-4-15(11-13)23-26-17-8-5-14(20)6-9-17/h2-12,23H,1H3,(H,22,24)
InChIKeySXLJMPQYYMONDP-UHFFFAOYSA-N
MW430.33 g/mol
LogP5.22
Rot. Bonds6

About 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide

3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 170977062) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID170977062
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC Name3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(NSc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C19H16BrN3O2S/c1-25-18-10-7-16(12-21-18)22-19(24)13-3-2-4-15(11-13)23-26-17-8-5-14(20)6-9-17/h2-12,23H,1H3,(H,22,24)
InChIKeySXLJMPQYYMONDP-UHFFFAOYSA-N
XLogP5.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.33
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
N-(6-methoxy-3-pyridinyl)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 84588254
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide (CID 170977062) is 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(NSc3ccc(Br)cc3)c2)cn1.
What is the InChIKey of 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is SXLJMPQYYMONDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c1-25-18-10-7-16(12-21-18)22-19(24)13-3-2-4-15(11-13)23-26-17-8-5-14(20)6-9-17/h2-12,23H,1H3,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide?
3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 430.33 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 170977062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).