N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide

C12H14BrClN2O2S — CID 82906740

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1CSCCN1
InChIInChI=1S/C12H14BrClN2O2S/c1-18-11-8(13)4-7(14)5-9(11)16-12(17)10-6-19-3-2-15-10/h4-5,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRFUZXQIUNJVTFA-UHFFFAOYSA-N
MW365.68 g/mol
LogP2.75
Rot. Bonds3

About N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide

N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906740) has the molecular formula C12H14BrClN2O2S and a molecular weight of 365.68 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
PubChem CID82906740
Molecular FormulaC12H14BrClN2O2S
Molecular Weight365.68 g/mol
Exact Mass363.96
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1CSCCN1
InChIInChI=1S/C12H14BrClN2O2S/c1-18-11-8(13)4-7(14)5-9(11)16-12(17)10-6-19-3-2-15-10/h4-5,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRFUZXQIUNJVTFA-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
CID 43704356
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
4-bromo-3-(thiomorpholine-3-carbonylamino)benzoic acid
CID 107813472
3-chloro-5-(thiomorpholine-3-carbonylamino)benzoic acid
CID 82917929
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82908517
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62211576
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide (CID 82906740) is N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide is COc1c(Br)cc(Cl)cc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide?
The InChIKey is RFUZXQIUNJVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2S/c1-18-11-8(13)4-7(14)5-9(11)16-12(17)10-6-19-3-2-15-10/h4-5,10,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide?
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide has a molecular weight of 365.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).