N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide

C19H31NO2S — CID 4012567

IUPACN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)CCC1(CCNC(=O)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C19H31NO2S/c1-15(2)7-8-19(10-12-22-18(3,4)14-19)9-11-20-17(21)16-6-5-13-23-16/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,21)
InChIKeyXYFWWPIWCWSQJD-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.88
Rot. Bonds7

About N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide

N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide (PubChem CID 4012567) has the molecular formula C19H31NO2S and a molecular weight of 337.53 g/mol. Its IUPAC name is N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
PubChem CID4012567
Molecular FormulaC19H31NO2S
Molecular Weight337.53 g/mol
Exact Mass337.21
IUPAC NameN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)CCC1(CCNC(=O)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C19H31NO2S/c1-15(2)7-8-19(10-12-22-18(3,4)14-19)9-11-20-17(21)16-6-5-13-23-16/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,21)
InChIKeyXYFWWPIWCWSQJD-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 899095
N-{2-[2,2-dimethyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]ethyl}-1-(thiophen-2-yl)ethanamine
CID 3506168
N-[(4-Methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 103742554
3-Methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875686
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-5-methylthiophene-3-carboxamide
CID 171471388
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide
CID 171471390
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 30943585
N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 56764280
N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]-5-propylthiophene-3-carboxamide
CID 91767216
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](3-methyl-2-thienyl)methanone
CID 91907709
(4-Methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone
CID 91917975

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide (CID 4012567) is N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide is CC(C)CCC1(CCNC(=O)c2cccs2)CCOC(C)(C)C1.
What is the InChIKey of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is XYFWWPIWCWSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2S/c1-15(2)7-8-19(10-12-22-18(3,4)14-19)9-11-20-17(21)16-6-5-13-23-16/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,21).
What are the key properties of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 337.53 g/mol, XLogP of 4.88, 7 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-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4012567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).