N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

C13H12ClNOS — CID 844899

IUPACN-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)6-7-15-13(16)12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyRZBKSZLVZLQKTD-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.37
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 844899) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID844899
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC NameN-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)6-7-15-13(16)12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyRZBKSZLVZLQKTD-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (CID 844899) is N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is RZBKSZLVZLQKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)6-7-15-13(16)12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 265.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 844899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).