4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

C19H24N2O2S — CID 5154807

IUPAC4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWMQZLRCMPHCNIR-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.48
Rot. Bonds6

About 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (PubChem CID 5154807) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
PubChem CID5154807
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWMQZLRCMPHCNIR-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (CID 5154807) is 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The InChIKey is WMQZLRCMPHCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 5154807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).