N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide

C18H25NOS — CID 8025209

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H25NOS/c1-11-3-4-16(21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyNBDGPSQCPLEUES-IHWZXDPASA-N
MW303.47 g/mol
LogP4.39
Rot. Bonds3

About N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide

N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 8025209) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID8025209
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H25NOS/c1-11-3-4-16(21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyNBDGPSQCPLEUES-IHWZXDPASA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-5-nitrothiophene-2-carboxamide
CID 7695383
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide
CID 92693071
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 7929638
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide (CID 8025209) is N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is NBDGPSQCPLEUES-IHWZXDPASA-N. The full InChI is InChI=1S/C18H25NOS/c1-11-3-4-16(21-11)17(20)19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,12-15H,5-10H2,1-2H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 8025209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).