5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide

C16H15BrN2O3S — CID 55868816

IUPAC5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2O3S/c17-14-5-4-13(22-14)15(20)18-12-3-1-2-11(10-12)16(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20)
InChIKeyGGTRDWIEOVVMQV-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.48
Rot. Bonds3

About 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 55868816) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
PubChem CID55868816
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2O3S/c17-14-5-4-13(22-14)15(20)18-12-3-1-2-11(10-12)16(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20)
InChIKeyGGTRDWIEOVVMQV-UHFFFAOYSA-N
XLogP3.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55775222
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5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55774560
N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
CID 86955154
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 55773981
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 112835756
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide (CID 55868816) is 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is GGTRDWIEOVVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-14-5-4-13(22-14)15(20)18-12-3-1-2-11(10-12)16(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20).
What are the key properties of 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55868816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).