3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C20H26N2O2S — CID 16806518

IUPAC3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1C
InChIInChI=1S/C20H26N2O2S/c1-14-6-7-17(13-15(14)2)20(23)21-16(3)19(18-5-4-12-25-18)22-8-10-24-11-9-22/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,21,23)
InChIKeyUASPYWVWLKQUQL-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.56
Rot. Bonds5

About 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide

3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 16806518) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID16806518
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1C
InChIInChI=1S/C20H26N2O2S/c1-14-6-7-17(13-15(14)2)20(23)21-16(3)19(18-5-4-12-25-18)22-8-10-24-11-9-22/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,21,23)
InChIKeyUASPYWVWLKQUQL-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 16806518) is 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide is Cc1ccc(C(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is UASPYWVWLKQUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-6-7-17(13-15(14)2)20(23)21-16(3)19(18-5-4-12-25-18)22-8-10-24-11-9-22/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 358.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 16806518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).