5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide

C13H18ClNO2S — CID 110875721

IUPAC5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-13(5-7-17-8-6-13)9-15(2)12(16)10-3-4-11(14)18-10/h3-4H,5-9H2,1-2H3
InChIKeyGIFVHVKKAQIIJA-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.29
Rot. Bonds3

About 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide

5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 110875721) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID110875721
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-13(5-7-17-8-6-13)9-15(2)12(16)10-3-4-11(14)18-10/h3-4H,5-9H2,1-2H3
InChIKeyGIFVHVKKAQIIJA-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (CID 110875721) is 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide is CN(CC1(C)CCOCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GIFVHVKKAQIIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-13(5-7-17-8-6-13)9-15(2)12(16)10-3-4-11(14)18-10/h3-4H,5-9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110875721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).