4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide

C16H19N3O2S — CID 59161736

IUPAC4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide
SMILESCc1cc(NC(=O)C(c2ccsc2)N(C)C)ccc1C(N)=O
InChIInChI=1S/C16H19N3O2S/c1-10-8-12(4-5-13(10)15(17)20)18-16(21)14(19(2)3)11-6-7-22-9-11/h4-9,14H,1-3H3,(H2,17,20)(H,18,21)
InChIKeyAOWMNHLDGLZPKB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.40
Rot. Bonds5

About 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide

4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide (PubChem CID 59161736) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide
PubChem CID59161736
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide
SMILESCc1cc(NC(=O)C(c2ccsc2)N(C)C)ccc1C(N)=O
InChIInChI=1S/C16H19N3O2S/c1-10-8-12(4-5-13(10)15(17)20)18-16(21)14(19(2)3)11-6-7-22-9-11/h4-9,14H,1-3H3,(H2,17,20)(H,18,21)
InChIKeyAOWMNHLDGLZPKB-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide?
The IUPAC name of 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide (CID 59161736) is 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide?
The canonical SMILES for 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide is Cc1cc(NC(=O)C(c2ccsc2)N(C)C)ccc1C(N)=O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide?
The InChIKey is AOWMNHLDGLZPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-8-12(4-5-13(10)15(17)20)18-16(21)14(19(2)3)11-6-7-22-9-11/h4-9,14H,1-3H3,(H2,17,20)(H,18,21).
What are the key properties of 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide?
4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-thiophen-3-ylacetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 59161736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).