N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide

C19H25NOS — CID 51852817

IUPACN-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C19H25NOS/c1-6-17-11-15(12-22-17)18(21)20-13(2)14-7-9-16(10-8-14)19(3,4)5/h7-13H,6H2,1-5H3,(H,20,21)/t13-/m1/s1
InChIKeyHVIIPPHHPQMCGS-CYBMUJFWSA-N
MW315.48 g/mol
LogP5.10
Rot. Bonds4

About N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide (PubChem CID 51852817) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide
PubChem CID51852817
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C19H25NOS/c1-6-17-11-15(12-22-17)18(21)20-13(2)14-7-9-16(10-8-14)19(3,4)5/h7-13H,6H2,1-5H3,(H,20,21)/t13-/m1/s1
InChIKeyHVIIPPHHPQMCGS-CYBMUJFWSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-ethylphenyl)ethyl]-5-nitrothiophene-3-carboxamide
CID 46488694
2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86829165
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 125042955
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide (CID 51852817) is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide?
The InChIKey is HVIIPPHHPQMCGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25NOS/c1-6-17-11-15(12-22-17)18(21)20-13(2)14-7-9-16(10-8-14)19(3,4)5/h7-13H,6H2,1-5H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide?
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide has a molecular weight of 315.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 51852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).