5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide

C17H17BrN2O4S — CID 56543760

IUPAC5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCS(=O)CC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O4S/c18-15-6-5-14(24-15)17(22)19-13-3-1-12(2-4-13)11-16(21)20-7-9-25(23)10-8-20/h1-6H,7-11H2,(H,19,22)
InChIKeyWDJGKQTXLKPZPS-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.43
Rot. Bonds4

About 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide (PubChem CID 56543760) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide
PubChem CID56543760
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCS(=O)CC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O4S/c18-15-6-5-14(24-15)17(22)19-13-3-1-12(2-4-13)11-16(21)20-7-9-25(23)10-8-20/h1-6H,7-11H2,(H,19,22)
InChIKeyWDJGKQTXLKPZPS-UHFFFAOYSA-N
XLogP2.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
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CID 17199012
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
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5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
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CID 56571751
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CID 108551717
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
5-bromo-N-[4-[2-[4-(4-methylpiperidin-1-yl)butylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55847749
5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60543526
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
CID 119409958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide (CID 56543760) is 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CC(=O)N2CCS(=O)CC2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide?
The InChIKey is WDJGKQTXLKPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c18-15-6-5-14(24-15)17(22)19-13-3-1-12(2-4-13)11-16(21)20-7-9-25(23)10-8-20/h1-6H,7-11H2,(H,19,22).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide has a molecular weight of 425.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56543760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).