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N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide

C18H18N2OS — CID 93241968

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C18H18N2OS/c1-3-13(2)20-18(21)15-9-5-7-11-17(15)22-16-10-6-4-8-14(16)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFWXVVKGZWQVMLR-ZDUSSCGKSA-N
MW310.42 g/mol
LogP4.24
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide

N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide (PubChem CID 93241968) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
PubChem CID93241968
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C18H18N2OS/c1-3-13(2)20-18(21)15-9-5-7-11-17(15)22-16-10-6-4-8-14(16)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFWXVVKGZWQVMLR-ZDUSSCGKSA-N
XLogP4.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide (CID 93241968) is N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide is CC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide?
The InChIKey is FWXVVKGZWQVMLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-13(2)20-18(21)15-9-5-7-11-17(15)22-16-10-6-4-8-14(16)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide?
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide is sourced from PubChem (CID 93241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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