N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide

C17H27NO2S — CID 3739463

IUPACN-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(C)C1(CCNC(=O)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C17H27NO2S/c1-13(2)17(8-10-20-16(3,4)12-17)7-9-18-15(19)14-6-5-11-21-14/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,19)
InChIKeySFAMBPYBOIWAJU-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 3739463) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID3739463
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(C)C1(CCNC(=O)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C17H27NO2S/c1-13(2)17(8-10-20-16(3,4)12-17)7-9-18-15(19)14-6-5-11-21-14/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,19)
InChIKeySFAMBPYBOIWAJU-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide (CID 3739463) is N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide is CC(C)C1(CCNC(=O)c2cccs2)CCOC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SFAMBPYBOIWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-13(2)17(8-10-20-16(3,4)12-17)7-9-18-15(19)14-6-5-11-21-14/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 309.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3739463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).