N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide

C18H17NO2S — CID 3071645

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cccs3)c2c1
InChIInChI=1S/C18H17NO2S/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-10-19-18(20)17-6-3-11-22-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyOFUZDXITYPNLHS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 3071645) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID3071645
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cccs3)c2c1
InChIInChI=1S/C18H17NO2S/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-10-19-18(20)17-6-3-11-22-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyOFUZDXITYPNLHS-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide (CID 3071645) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide is COc1ccc2cccc(CCNC(=O)c3cccs3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is OFUZDXITYPNLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-10-19-18(20)17-6-3-11-22-17/h2-8,11-12H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3071645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).