(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C19H14N2OS2 — CID 8006101

IUPAC(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESN#Cc1ccsc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2OS2/c20-13-15-11-12-23-19(15)21-18(22)17(14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-12,17H,(H,21,22)/t17-/m1/s1
InChIKeyYGTUVPQUBYXZKG-QGZVFWFLSA-N
MW350.47 g/mol
LogP5.09
Rot. Bonds5

About (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 8006101) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID8006101
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESN#Cc1ccsc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2OS2/c20-13-15-11-12-23-19(15)21-18(22)17(14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-12,17H,(H,21,22)/t17-/m1/s1
InChIKeyYGTUVPQUBYXZKG-QGZVFWFLSA-N
XLogP5.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806413
(2S)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 7027396
4-[(3-cyanothiophen-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 45313303
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 18587111
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxamide
CID 4675086
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 8006101) is (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide is N#Cc1ccsc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is YGTUVPQUBYXZKG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14N2OS2/c20-13-15-11-12-23-19(15)21-18(22)17(14-7-3-1-4-8-14)24-16-9-5-2-6-10-16/h1-12,17H,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 350.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 8006101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).