(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

C19H17NO2S — CID 673492

IUPAC(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccco1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-13,18H,14H2,(H,20,21)/t18-/m0/s1
InChIKeyPSPZLHVPXKCSTO-SFHVURJKSA-N
MW323.42 g/mol
LogP4.43
Rot. Bonds6

About (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 673492) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID673492
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccco1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-13,18H,14H2,(H,20,21)/t18-/m0/s1
InChIKeyPSPZLHVPXKCSTO-SFHVURJKSA-N
XLogP4.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 46592818
(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 31217881
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (CID 673492) is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCc1ccco1)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is PSPZLHVPXKCSTO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-19(20-14-16-10-7-13-22-16)18(15-8-3-1-4-9-15)23-17-11-5-2-6-12-17/h1-13,18H,14H2,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 323.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 673492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).