N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide

C12H10ClNOS — CID 91219861

IUPACN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide
SMILESO=CNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)12-6-5-11(16-12)7-14-8-15/h1-6,8H,7H2,(H,14,15)
InChIKeyHHQIKQUQXJNXTL-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.31
Rot. Bonds4

About N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide

N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide (PubChem CID 91219861) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide
PubChem CID91219861
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC NameN-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide
SMILESO=CNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)12-6-5-11(16-12)7-14-8-15/h1-6,8H,7H2,(H,14,15)
InChIKeyHHQIKQUQXJNXTL-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide?
The IUPAC name of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide (CID 91219861) is N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide is O=CNCc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide?
The InChIKey is HHQIKQUQXJNXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-3-1-9(2-4-10)12-6-5-11(16-12)7-14-8-15/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide?
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide has a molecular weight of 251.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide is sourced from PubChem (CID 91219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).