N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide

C15H23NO3S — CID 91914948

IUPACN-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
SMILESCOCCN(CC1(C)CCOCC1)C(=O)c1ccsc1
InChIInChI=1S/C15H23NO3S/c1-15(4-7-19-8-5-15)12-16(6-9-18-2)14(17)13-3-10-20-11-13/h3,10-11H,4-9,12H2,1-2H3
InChIKeyWSBDRAFSYXZNOJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.65
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide

N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 91914948) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
PubChem CID91914948
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
SMILESCOCCN(CC1(C)CCOCC1)C(=O)c1ccsc1
InChIInChI=1S/C15H23NO3S/c1-15(4-7-19-8-5-15)12-16(6-9-18-2)14(17)13-3-10-20-11-13/h3,10-11H,4-9,12H2,1-2H3
InChIKeyWSBDRAFSYXZNOJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide (CID 91914948) is N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide is COCCN(CC1(C)CCOCC1)C(=O)c1ccsc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is WSBDRAFSYXZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(4-7-19-8-5-15)12-16(6-9-18-2)14(17)13-3-10-20-11-13/h3,10-11H,4-9,12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 91914948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).