4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide

C17H19NO2S — CID 17174245

IUPAC4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)sc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-12-10-15(17(19)18-11-14-8-5-9-20-14)21-16(12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,18,19)
InChIKeyXNRMQPBOZBLCIQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.63
Rot. Bonds4

About 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide

4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide (PubChem CID 17174245) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
PubChem CID17174245
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)sc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-12-10-15(17(19)18-11-14-8-5-9-20-14)21-16(12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,18,19)
InChIKeyXNRMQPBOZBLCIQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide (CID 17174245) is 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCO2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide?
The InChIKey is XNRMQPBOZBLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-10-15(17(19)18-11-14-8-5-9-20-14)21-16(12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide?
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 17174245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).