2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide

C17H20N2O2S — CID 569946

IUPAC2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C17H20N2O2S/c1-10(2)18-16(21)14-11(3)12(4)22-17(14)19-15(20)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20)
InChIKeyXBSDXLHMNNTAKI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.76
Rot. Bonds4

About 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide

2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 569946) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID569946
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C17H20N2O2S/c1-10(2)18-16(21)14-11(3)12(4)22-17(14)19-15(20)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20)
InChIKeyXBSDXLHMNNTAKI-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide (CID 569946) is 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C.
What is the InChIKey of 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is XBSDXLHMNNTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(2)18-16(21)14-11(3)12(4)22-17(14)19-15(20)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 569946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).