N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide

C18H21NO3S — CID 111596646

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-4-19(12-18(2,3)22)17(21)14-9-6-5-8-13(14)16(20)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3
InChIKeyHNQMYGSLEQOUDK-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide (PubChem CID 111596646) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
PubChem CID111596646
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-4-19(12-18(2,3)22)17(21)14-9-6-5-8-13(14)16(20)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3
InChIKeyHNQMYGSLEQOUDK-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide (CID 111596646) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is HNQMYGSLEQOUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-19(12-18(2,3)22)17(21)14-9-6-5-8-13(14)16(20)15-10-7-11-23-15/h5-11,22H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 111596646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).