N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C20H19NOS2 — CID 18283562

IUPACN-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H19NOS2/c22-20(21-13-12-16-7-2-1-3-8-16)18-10-4-5-11-19(18)24-15-17-9-6-14-23-17/h1-11,14H,12-13,15H2,(H,21,22)
InChIKeyQKNOBRYNVUMKCS-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.01
Rot. Bonds7

About N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 18283562) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID18283562
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC NameN-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H19NOS2/c22-20(21-13-12-16-7-2-1-3-8-16)18-10-4-5-11-19(18)24-15-17-9-6-14-23-17/h1-11,14H,12-13,15H2,(H,21,22)
InChIKeyQKNOBRYNVUMKCS-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55504936
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 18283562) is N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is QKNOBRYNVUMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS2/c22-20(21-13-12-16-7-2-1-3-8-16)18-10-4-5-11-19(18)24-15-17-9-6-14-23-17/h1-11,14H,12-13,15H2,(H,21,22).
What are the key properties of N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 353.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 18283562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).