N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide

C12H9Cl2NOS — CID 897918

IUPACN-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H9Cl2NOS/c13-9-4-3-8(6-10(9)14)7-15-12(16)11-2-1-5-17-11/h1-6H,7H2,(H,15,16)
InChIKeyMXASAEFHMSREJU-UHFFFAOYSA-N
MW286.18 g/mol
LogP3.98
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 897918) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide
PubChem CID897918
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC NameN-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H9Cl2NOS/c13-9-4-3-8(6-10(9)14)7-15-12(16)11-2-1-5-17-11/h1-6H,7H2,(H,15,16)
InChIKeyMXASAEFHMSREJU-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide (CID 897918) is N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is MXASAEFHMSREJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c13-9-4-3-8(6-10(9)14)7-15-12(16)11-2-1-5-17-11/h1-6H,7H2,(H,15,16).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 286.18 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 897918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).