N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide

C15H20ClN3O2S — CID 91641959

IUPACN-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2S/c1-10(2)17-14(20)15(21)18-11-3-4-13(12(16)9-11)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRBZAFZRWHURAJE-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.36
Rot. Bonds3

About N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide

N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide (PubChem CID 91641959) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide
PubChem CID91641959
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2S/c1-10(2)17-14(20)15(21)18-11-3-4-13(12(16)9-11)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRBZAFZRWHURAJE-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-chloro-4-thiomorpholin-4-ylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565762
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874
1-(3-butoxypropyl)-3-(3-chloro-4-thiomorpholin-4-ylphenyl)urea
CID 60611816
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N-(3-chloro-4-thiomorpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 51129835
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-[(2S,3S)-1-(3-chloro-4-pyrrolidin-1-ylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 97342486
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
CID 1227276
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide (CID 91641959) is N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide?
The InChIKey is RBZAFZRWHURAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10(2)17-14(20)15(21)18-11-3-4-13(12(16)9-11)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide?
N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide has a molecular weight of 341.86 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-thiomorpholin-4-ylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 91641959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).