(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

C21H22N2OS — CID 31217881

IUPAC(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C21H22N2OS/c1-16-13-14-18(23(16)2)15-22-21(24)20(17-9-5-3-6-10-17)25-19-11-7-4-8-12-19/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyNEOQXHQLZMVLDG-HXUWFJFHSA-N
MW350.49 g/mol
LogP4.48
Rot. Bonds6

About (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 31217881) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID31217881
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C21H22N2OS/c1-16-13-14-18(23(16)2)15-22-21(24)20(17-9-5-3-6-10-17)25-19-11-7-4-8-12-19/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyNEOQXHQLZMVLDG-HXUWFJFHSA-N
XLogP4.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 46592818
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
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CID 120831508
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 31217881) is (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is Cc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1C.
What is the InChIKey of (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is NEOQXHQLZMVLDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-16-13-14-18(23(16)2)15-22-21(24)20(17-9-5-3-6-10-17)25-19-11-7-4-8-12-19/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 350.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 31217881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).