3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C17H19N3O3S — CID 17429130

IUPAC3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-11(21)18-14-7-13(8-15(9-14)19-12(2)22)17(23)20(3)10-16-5-4-6-24-16/h4-9H,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLJFWNSIDWYVKOL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.94
Rot. Bonds5

About 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide

3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17429130) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17429130
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-11(21)18-14-7-13(8-15(9-14)19-12(2)22)17(23)20(3)10-16-5-4-6-24-16/h4-9H,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLJFWNSIDWYVKOL-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diacetamido-N-[(4-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 55843736
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide
CID 71688750
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 17429130) is 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2cccs2)c1.
What is the InChIKey of 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LJFWNSIDWYVKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(21)18-14-7-13(8-15(9-14)19-12(2)22)17(23)20(3)10-16-5-4-6-24-16/h4-9H,10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 345.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17429130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).