N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide

C14H13Cl2NOS2 — CID 2742120

IUPACN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H13Cl2NOS2/c15-11-4-3-10(12(16)8-11)9-19-7-5-17-14(18)13-2-1-6-20-13/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyKNTXWENVFOQICX-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.72
Rot. Bonds6

About N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide (PubChem CID 2742120) has the molecular formula C14H13Cl2NOS2 and a molecular weight of 346.30 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
PubChem CID2742120
Molecular FormulaC14H13Cl2NOS2
Molecular Weight346.30 g/mol
Exact Mass344.98
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H13Cl2NOS2/c15-11-4-3-10(12(16)8-11)9-19-7-5-17-14(18)13-2-1-6-20-13/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyKNTXWENVFOQICX-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide
CID 4266221
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide (CID 2742120) is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide is O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide?
The InChIKey is KNTXWENVFOQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS2/c15-11-4-3-10(12(16)8-11)9-19-7-5-17-14(18)13-2-1-6-20-13/h1-4,6,8H,5,7,9H2,(H,17,18).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide?
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide has a molecular weight of 346.30 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2742120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).