4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide

C20H23NOS2 — CID 26702921

IUPAC4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
SMILESCC[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1
InChIInChI=1S/C20H23NOS2/c1-2-15(16-6-4-3-5-7-16)14-21-19(22)17-8-10-18(11-9-17)20-23-12-13-24-20/h3-11,15,20H,2,12-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJVZCHCPZACWNHS-HNNXBMFYSA-N
MW357.54 g/mol
LogP5.09
Rot. Bonds6

About 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide

4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide (PubChem CID 26702921) has the molecular formula C20H23NOS2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
PubChem CID26702921
Molecular FormulaC20H23NOS2
Molecular Weight357.54 g/mol
Exact Mass357.12
IUPAC Name4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
SMILESCC[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1
InChIInChI=1S/C20H23NOS2/c1-2-15(16-6-4-3-5-7-16)14-21-19(22)17-8-10-18(11-9-17)20-23-12-13-24-20/h3-11,15,20H,2,12-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJVZCHCPZACWNHS-HNNXBMFYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 86981262
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-(1,3-dithiolan-2-yl)-N-(2-phenylsulfanylethyl)benzamide
CID 9482965
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 8937300
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide (CID 26702921) is 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide is CC[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide?
The InChIKey is JVZCHCPZACWNHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NOS2/c1-2-15(16-6-4-3-5-7-16)14-21-19(22)17-8-10-18(11-9-17)20-23-12-13-24-20/h3-11,15,20H,2,12-14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide?
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide has a molecular weight of 357.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide is sourced from PubChem (CID 26702921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).