2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

C18H16ClNO3S — CID 55340134

IUPAC2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1Cl)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H16ClNO3S/c19-16-7-1-2-8-17(16)24-13-18(21)20(11-14-5-3-9-22-14)12-15-6-4-10-23-15/h1-10H,11-13H2
InChIKeyDJGYHDCGROREIM-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.85
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (PubChem CID 55340134) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
PubChem CID55340134
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1Cl)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H16ClNO3S/c19-16-7-1-2-8-17(16)24-13-18(21)20(11-14-5-3-9-22-14)12-15-6-4-10-23-15/h1-10H,11-13H2
InChIKeyDJGYHDCGROREIM-UHFFFAOYSA-N
XLogP4.85
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 51152684
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595
N-benzyl-N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581957
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 9019405
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (CID 55340134) is 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is O=C(CSc1ccccc1Cl)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The InChIKey is DJGYHDCGROREIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-16-7-1-2-8-17(16)24-13-18(21)20(11-14-5-3-9-22-14)12-15-6-4-10-23-15/h1-10H,11-13H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 55340134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).