4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C22H30N2O2S — CID 16806519

IUPAC4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C22H30N2O2S/c1-16(20(19-6-5-15-27-19)24-11-13-26-14-12-24)23-21(25)17-7-9-18(10-8-17)22(2,3)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,23,25)
InChIKeyJYYTXZFHEFCUAB-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.24
Rot. Bonds5

About 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide

4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 16806519) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID16806519
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C22H30N2O2S/c1-16(20(19-6-5-15-27-19)24-11-13-26-14-12-24)23-21(25)17-7-9-18(10-8-17)22(2,3)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,23,25)
InChIKeyJYYTXZFHEFCUAB-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 16806519) is 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is JYYTXZFHEFCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-16(20(19-6-5-15-27-19)24-11-13-26-14-12-24)23-21(25)17-7-9-18(10-8-17)22(2,3)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 386.56 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 16806519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).