2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide

C20H19NO3S — CID 71815599

IUPAC2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H19NO3S/c22-19(21-14-18-12-7-13-24-18)15-25(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22)
InChIKeyYBBYTAPZAKIIBB-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.43
Rot. Bonds7

About 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide

2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 71815599) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
PubChem CID71815599
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H19NO3S/c22-19(21-14-18-12-7-13-24-18)15-25(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22)
InChIKeyYBBYTAPZAKIIBB-UHFFFAOYSA-N
XLogP3.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
CID 123117257
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide (CID 71815599) is 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide is O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YBBYTAPZAKIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-19(21-14-18-12-7-13-24-18)15-25(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,21,22).
What are the key properties of 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide?
2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 71815599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).