5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide

C12H16ClNO2S — CID 91915002

IUPAC5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S/c1-14(8-9-4-6-16-7-5-9)12(15)10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3
InChIKeyYNSUSVATRKFYLB-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.90
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide

5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 91915002) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
PubChem CID91915002
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S/c1-14(8-9-4-6-16-7-5-9)12(15)10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3
InChIKeyYNSUSVATRKFYLB-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.90
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-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide (CID 91915002) is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide is CN(CC1CCOCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is YNSUSVATRKFYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-14(8-9-4-6-16-7-5-9)12(15)10-2-3-11(13)17-10/h2-3,9H,4-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 2.90, 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-(oxan-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 91915002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).