N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide

C18H23NOS — CID 112817740

IUPACN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3
InChIKeyNBXJSDZONJMKBK-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.84
Rot. Bonds5

About N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide

N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 112817740) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID112817740
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3
InChIKeyNBXJSDZONJMKBK-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide (CID 112817740) is N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide is CCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is NBXJSDZONJMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 112817740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).