5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide

C14H16ClN3O2S — CID 128992160

IUPAC5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
SMILESCn1cncc1C1CC(NC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C14H16ClN3O2S/c1-18-8-16-7-10(18)11-6-9(4-5-20-11)17-14(19)12-2-3-13(15)21-12/h2-3,7-9,11H,4-6H2,1H3,(H,17,19)
InChIKeyNSTCFZMFVYVMRL-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide

5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide (PubChem CID 128992160) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
PubChem CID128992160
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
SMILESCn1cncc1C1CC(NC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C14H16ClN3O2S/c1-18-8-16-7-10(18)11-6-9(4-5-20-11)17-14(19)12-2-3-13(15)21-12/h2-3,7-9,11H,4-6H2,1H3,(H,17,19)
InChIKeyNSTCFZMFVYVMRL-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide (CID 128992160) is 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide is Cn1cncc1C1CC(NC(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide?
The InChIKey is NSTCFZMFVYVMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18-8-16-7-10(18)11-6-9(4-5-20-11)17-14(19)12-2-3-13(15)21-12/h2-3,7-9,11H,4-6H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide?
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 128992160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).