N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

C14H13Cl2NO2S — CID 126180652

IUPACN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-4-3-10(8-12(11)16)9-20-7-5-17-14(18)13-2-1-6-19-13/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyRPGNLXAIYZCXRV-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.25
Rot. Bonds6

About N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide (PubChem CID 126180652) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
PubChem CID126180652
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC NameN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-4-3-10(8-12(11)16)9-20-7-5-17-14(18)13-2-1-6-19-13/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyRPGNLXAIYZCXRV-UHFFFAOYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.25
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-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
4-bromo-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2286732
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-iodobenzamide
CID 100513186
N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
CID 71875126
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414923
4-[benzyl(methylsulfonyl)amino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 28589608
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 43922691
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3880101
N-(2-benzylsulfanylethyl)-2-chloro-4,5-difluorobenzamide
CID 32965453
1-(2-benzylsulfanylethyl)-3-(3,4-dichlorophenyl)urea
CID 100569621
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide (CID 126180652) is N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide is O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The InChIKey is RPGNLXAIYZCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-11-4-3-10(8-12(11)16)9-20-7-5-17-14(18)13-2-1-6-19-13/h1-4,6,8H,5,7,9H2,(H,17,18).
What are the key properties of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide has a molecular weight of 330.24 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 126180652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).