5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide

C18H17NOS — CID 27753913

IUPAC5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)s1
InChIInChI=1S/C18H17NOS/c1-12-10-11-17(21-12)18(20)19-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-11,13H,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyATYGFDAESRNTFB-CYBMUJFWSA-N
MW295.41 g/mol
LogP4.70
Rot. Bonds3

About 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide

5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide (PubChem CID 27753913) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
PubChem CID27753913
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)s1
InChIInChI=1S/C18H17NOS/c1-12-10-11-17(21-12)18(20)19-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-11,13H,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyATYGFDAESRNTFB-CYBMUJFWSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589734
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 92771361
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8561997
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26004667
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644678

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide (CID 27753913) is 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)s1.
What is the InChIKey of 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is ATYGFDAESRNTFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-10-11-17(21-12)18(20)19-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-11,13H,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 27753913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).