5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide

C15H16ClN3O2S — CID 91626280

IUPAC5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3O2S/c16-13-7-6-12(22-13)14(20)19-10-2-4-11(5-3-10)21-15-17-8-1-9-18-15/h1,6-11H,2-5H2,(H,19,20)
InChIKeyVTCLZRXOAGJYPK-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.31
Rot. Bonds4

About 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide

5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide (PubChem CID 91626280) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
PubChem CID91626280
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3O2S/c16-13-7-6-12(22-13)14(20)19-10-2-4-11(5-3-10)21-15-17-8-1-9-18-15/h1,6-11H,2-5H2,(H,19,20)
InChIKeyVTCLZRXOAGJYPK-UHFFFAOYSA-N
XLogP3.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide (CID 91626280) is 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide?
The InChIKey is VTCLZRXOAGJYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-13-7-6-12(22-13)14(20)19-10-2-4-11(5-3-10)21-15-17-8-1-9-18-15/h1,6-11H,2-5H2,(H,19,20).
What are the key properties of 5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide?
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide has a molecular weight of 337.83 g/mol, XLogP of 3.31, 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-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 91626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).