N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide

C19H23NOS — CID 71884129

IUPACN-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NOS/c1-19(2,3)14-7-9-15(10-8-14)20(4)18(21)17-16(11-12-22-17)13-5-6-13/h7-13H,5-6H2,1-4H3
InChIKeyBTNVYCVLCMNOQO-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.20
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide

N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide (PubChem CID 71884129) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide
PubChem CID71884129
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NOS/c1-19(2,3)14-7-9-15(10-8-14)20(4)18(21)17-16(11-12-22-17)13-5-6-13/h7-13H,5-6H2,1-4H3
InChIKeyBTNVYCVLCMNOQO-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide (CID 71884129) is N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide is CN(C(=O)c1sccc1C1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide?
The InChIKey is BTNVYCVLCMNOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(2,3)14-7-9-15(10-8-14)20(4)18(21)17-16(11-12-22-17)13-5-6-13/h7-13H,5-6H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide?
N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 71884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).