2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide

C18H23N3O2S — CID 792246

IUPAC2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C18H23N3O2S/c1-12-13(2)24-18(15(12)17(23)19-10-11-21(3)4)20-16(22)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyLYDVKJBWLIXPBX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.91
Rot. Bonds6

About 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide

2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 792246) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide
PubChem CID792246
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C18H23N3O2S/c1-12-13(2)24-18(15(12)17(23)19-10-11-21(3)4)20-16(22)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyLYDVKJBWLIXPBX-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide (CID 792246) is 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C.
What is the InChIKey of 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is LYDVKJBWLIXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-13(2)24-18(15(12)17(23)19-10-11-21(3)4)20-16(22)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide?
2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).