N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide

C13H17ClN2O3S — CID 82905750

IUPACN-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CSCCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-18-11-6-12(19-2)9(5-8(11)14)16-13(17)10-7-20-4-3-15-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHANYUWGQENGKTH-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.00
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide (PubChem CID 82905750) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
PubChem CID82905750
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CSCCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-18-11-6-12(19-2)9(5-8(11)14)16-13(17)10-7-20-4-3-15-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHANYUWGQENGKTH-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
N-(2-chloro-5-nitrophenyl)thiomorpholine-3-carboxamide
CID 82909107
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82908618

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide (CID 82905750) is N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide is COc1cc(OC)c(NC(=O)C2CSCCN2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The InChIKey is HANYUWGQENGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-18-11-6-12(19-2)9(5-8(11)14)16-13(17)10-7-20-4-3-15-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).