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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Related Compounds

4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
2-methyl-4-[(3-methylbenzoyl)amino]benzamide
CID 126612438
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698
2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
CID 115284419
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
2-methyl-4-(2-methylpropanoylamino)benzoate
CID 22303277

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).