N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

C20H19NOS2 — CID 46592818

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccsc1CNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOS2/c1-15-12-13-23-18(15)14-21-20(22)19(16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22)
InChIKeySIUDPQBQPTVVAQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.21
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 46592818) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID46592818
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccsc1CNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOS2/c1-15-12-13-23-18(15)14-21-20(22)19(16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22)
InChIKeySIUDPQBQPTVVAQ-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 31217881
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 46592818) is N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is Cc1ccsc1CNC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is SIUDPQBQPTVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS2/c1-15-12-13-23-18(15)14-21-20(22)19(16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,21,22).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 353.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 46592818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).