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

C21H28N2O2S — CID 17014753

IUPAC4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-21(2,3)17-8-6-16(7-9-17)20(24)22-15-18(19-5-4-14-26-19)23-10-12-25-13-11-23/h4-9,14,18H,10-13,15H2,1-3H3,(H,22,24)
InChIKeyKHWGNAUISFDQKC-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.85
Rot. Bonds5

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

4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17014753) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17014753
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-21(2,3)17-8-6-16(7-9-17)20(24)22-15-18(19-5-4-14-26-19)23-10-12-25-13-11-23/h4-9,14,18H,10-13,15H2,1-3H3,(H,22,24)
InChIKeyKHWGNAUISFDQKC-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.85
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-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 17014753) is 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is KHWGNAUISFDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-21(2,3)17-8-6-16(7-9-17)20(24)22-15-18(19-5-4-14-26-19)23-10-12-25-13-11-23/h4-9,14,18H,10-13,15H2,1-3H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 372.53 g/mol, XLogP of 3.85, 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-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17014753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).