5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide

C15H15Cl2N3O2S — CID 90633833

IUPAC5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2N3O2S/c16-9-7-18-15(19-8-9)22-11-3-1-10(2-4-11)20-14(21)12-5-6-13(17)23-12/h5-8,10-11H,1-4H2,(H,20,21)
InChIKeyLKMKCROWMAMJTH-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.96
Rot. Bonds4

About 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide

5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide (PubChem CID 90633833) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
PubChem CID90633833
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2N3O2S/c16-9-7-18-15(19-8-9)22-11-3-1-10(2-4-11)20-14(21)12-5-6-13(17)23-12/h5-8,10-11H,1-4H2,(H,20,21)
InChIKeyLKMKCROWMAMJTH-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide (CID 90633833) is 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide?
The InChIKey is LKMKCROWMAMJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c16-9-7-18-15(19-8-9)22-11-3-1-10(2-4-11)20-14(21)12-5-6-13(17)23-12/h5-8,10-11H,1-4H2,(H,20,21).
What are the key properties of 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 90633833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).