2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide

C17H14ClNO2S — CID 41340580

IUPAC2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C17H14ClNO2S/c1-21-15-8-7-14(12-4-2-3-5-13(12)15)19-17(20)10-11-6-9-16(18)22-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHFUIHOPIRSCTAX-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.74
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide (PubChem CID 41340580) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide
PubChem CID41340580
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C17H14ClNO2S/c1-21-15-8-7-14(12-4-2-3-5-13(12)15)19-17(20)10-11-6-9-16(18)22-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHFUIHOPIRSCTAX-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide (CID 41340580) is 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide is COc1ccc(NC(=O)Cc2ccc(Cl)s2)c2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide?
The InChIKey is HFUIHOPIRSCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-21-15-8-7-14(12-4-2-3-5-13(12)15)19-17(20)10-11-6-9-16(18)22-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide has a molecular weight of 331.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(4-methoxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 41340580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).